(3R)-3-[(3S)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid

C15H24N4O6 — CID 118678754

IUPAC(3R)-3-[(3S)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
SMILESC[C@H](NC(=O)[C@H]1CCN(C(=O)[C@@H]2CCN(C(=O)O)C2)C1)[C@@H](O)C(N)=O
InChIInChI=1S/C15H24N4O6/c1-8(11(20)12(16)21)17-13(22)9-2-4-18(6-9)14(23)10-3-5-19(7-10)15(24)25/h8-11,20H,2-7H2,1H3,(H2,16,21)(H,17,22)(H,24,25)/t8-,9-,10+,11+/m0/s1
InChIKeyLMFAPRWENNYHJK-UKKRHICBSA-N
MW356.38 g/mol
LogP-1.81
Rot. Bonds5

About (3R)-3-[(3S)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid

(3R)-3-[(3S)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid (PubChem CID 118678754) has the molecular formula C15H24N4O6 and a molecular weight of 356.38 g/mol. Its IUPAC name is (3R)-3-[(3S)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[(3S)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
PubChem CID118678754
Molecular FormulaC15H24N4O6
Molecular Weight356.38 g/mol
Exact Mass356.17
IUPAC Name(3R)-3-[(3S)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
SMILESC[C@H](NC(=O)[C@H]1CCN(C(=O)[C@@H]2CCN(C(=O)O)C2)C1)[C@@H](O)C(N)=O
InChIInChI=1S/C15H24N4O6/c1-8(11(20)12(16)21)17-13(22)9-2-4-18(6-9)14(23)10-3-5-19(7-10)15(24)25/h8-11,20H,2-7H2,1H3,(H2,16,21)(H,17,22)(H,24,25)/t8-,9-,10+,11+/m0/s1
InChIKeyLMFAPRWENNYHJK-UKKRHICBSA-N
XLogP-1.81
TPSA153.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 5-1.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[(3S)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,3R)-4-[(3R)-3-[(3R)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-4-oxobutan-2-yl]carbamic acid
CID 118678862
N-[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide
CID 118678826
(3S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(3S)-1-[(2S,3R)-3-hydroxy-2-methylbutanoyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carboxamide
CID 130258507
(3S)-3-[(2S)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 130238004
N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-(pyrrolidine-3-carbonyl)pyrrolidine-3-carboxamide
CID 130237986
(3R)-3-(hydrazinecarbonyl)pyrrolidine-1-carboxylic acid
CID 146597457
(3S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide
CID 130238024
(3S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-3-carboxamide
CID 130238042
4-[[(2S)-but-3-yn-2-yl]carbamoyl]piperidine-1-carboxylic acid
CID 139330088
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid
CID 43172733
pyrrolidine-1,3-dicarboxylic acid
CID 22258620
(3S)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidine-1-carboxylic acid
CID 70098972

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3S)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3R)-3-[(3S)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid (CID 118678754) is (3R)-3-[(3S)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[(3S)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[(3S)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid is C[C@H](NC(=O)[C@H]1CCN(C(=O)[C@@H]2CCN(C(=O)O)C2)C1)[C@@H](O)C(N)=O.
What is the InChIKey of (3R)-3-[(3S)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid?
The InChIKey is LMFAPRWENNYHJK-UKKRHICBSA-N. The full InChI is InChI=1S/C15H24N4O6/c1-8(11(20)12(16)21)17-13(22)9-2-4-18(6-9)14(23)10-3-5-19(7-10)15(24)25/h8-11,20H,2-7H2,1H3,(H2,16,21)(H,17,22)(H,24,25)/t8-,9-,10+,11+/m0/s1.
What are the key properties of (3R)-3-[(3S)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid?
(3R)-3-[(3S)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of -1.81, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3S)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 118678754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).