N-[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide

C14H24N4O4 — CID 118678826

IUPACN-[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide
SMILESC[C@H](NC(=O)C1CCN(C(=O)[C@H]2CCCN2)C1)[C@@H](O)C(N)=O
InChIInChI=1S/C14H24N4O4/c1-8(11(19)12(15)20)17-13(21)9-4-6-18(7-9)14(22)10-3-2-5-16-10/h8-11,16,19H,2-7H2,1H3,(H2,15,20)(H,17,21)/t8-,9?,10+,11+/m0/s1
InChIKeyPVNFCKNAHSMARI-PIOBBSKYSA-N
MW312.37 g/mol
LogP-2.06
Rot. Bonds5

About N-[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide

N-[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide (PubChem CID 118678826) has the molecular formula C14H24N4O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide
PubChem CID118678826
Molecular FormulaC14H24N4O4
Molecular Weight312.37 g/mol
Exact Mass312.18
IUPAC NameN-[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide
SMILESC[C@H](NC(=O)C1CCN(C(=O)[C@H]2CCCN2)C1)[C@@H](O)C(N)=O
InChIInChI=1S/C14H24N4O4/c1-8(11(19)12(15)20)17-13(21)9-4-6-18(7-9)14(22)10-3-2-5-16-10/h8-11,16,19H,2-7H2,1H3,(H2,15,20)(H,17,21)/t8-,9?,10+,11+/m0/s1
InChIKeyPVNFCKNAHSMARI-PIOBBSKYSA-N
XLogP-2.06
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 5-2.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide
CID 130238024
(3R)-3-[(3S)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 118678754
N-propan-2-yl-1-[(2R)-pyrrolidine-2-carbonyl]piperidine-3-carboxamide
CID 53015059
[(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-methyl-1-[(2S)-piperidine-2-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119783429
1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 10081902
1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
CID 7175999
(2S)-4-methyl-2-[[1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carbonyl]amino]pentanoic acid;hydrochloride
CID 44663757
(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119336352
(3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831888
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
N-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-4-carboxamide
CID 93173904

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide (CID 118678826) is N-[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide is C[C@H](NC(=O)C1CCN(C(=O)[C@H]2CCCN2)C1)[C@@H](O)C(N)=O.
What is the InChIKey of N-[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide?
The InChIKey is PVNFCKNAHSMARI-PIOBBSKYSA-N. The full InChI is InChI=1S/C14H24N4O4/c1-8(11(19)12(15)20)17-13(21)9-4-6-18(7-9)14(22)10-3-2-5-16-10/h8-11,16,19H,2-7H2,1H3,(H2,15,20)(H,17,21)/t8-,9?,10+,11+/m0/s1.
What are the key properties of N-[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide?
N-[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of -2.06, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 118678826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).