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

C14H24N4O4 — CID 130237986

IUPACN-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-(pyrrolidine-3-carbonyl)pyrrolidine-3-carboxamide
SMILESC[C@@H](O)[C@H](NC(=O)C1CCN(C(=O)C2CCNC2)C1)C(N)=O
InChIInChI=1S/C14H24N4O4/c1-8(19)11(12(15)20)17-13(21)10-3-5-18(7-10)14(22)9-2-4-16-6-9/h8-11,16,19H,2-7H2,1H3,(H2,15,20)(H,17,21)/t8-,9?,10?,11+/m1/s1
InChIKeyCJLLWRDXDCDASJ-SFXRXQKFSA-N
MW312.37 g/mol
LogP-2.20
Rot. Bonds5

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

N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-(pyrrolidine-3-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 130237986) has the molecular formula C14H24N4O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-(pyrrolidine-3-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-(pyrrolidine-3-carbonyl)pyrrolidine-3-carboxamide
PubChem CID130237986
Molecular FormulaC14H24N4O4
Molecular Weight312.37 g/mol
Exact Mass312.18
IUPAC NameN-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-(pyrrolidine-3-carbonyl)pyrrolidine-3-carboxamide
SMILESC[C@@H](O)[C@H](NC(=O)C1CCN(C(=O)C2CCNC2)C1)C(N)=O
InChIInChI=1S/C14H24N4O4/c1-8(19)11(12(15)20)17-13(21)10-3-5-18(7-10)14(22)9-2-4-16-6-9/h8-11,16,19H,2-7H2,1H3,(H2,15,20)(H,17,21)/t8-,9?,10?,11+/m1/s1
InChIKeyCJLLWRDXDCDASJ-SFXRXQKFSA-N
XLogP-2.20
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 ≤ 5-2.20
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-[(3S)-1-[(2S,3R)-3-hydroxy-2-methylbutanoyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carboxamide
CID 130258507
(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
(3-propan-2-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
CID 115740808
(3R)-3-[(3S)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 118678754
(3S)-3-[(2S)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 130238004
[3-(1-hydroxyethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 121201689
N-[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide
CID 118678826
(3R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-3-carboxamide
CID 106344996
(3-piperidin-1-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119877849
(4-methylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 75419424
(2S)-3-(4-hydroxyphenyl)-2-[[(3R)-1-[(3R)-1-[(3R)-1-[(3R)-1-[(3R)-1-[(3R)-1-[(3R)-1-[(3R)-1-[(3R)-1-[(3R)-pyrrolidine-3-carbonyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carbonyl]amino]propanoic acid
CID 102008985

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-(pyrrolidine-3-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-(pyrrolidine-3-carbonyl)pyrrolidine-3-carboxamide (CID 130237986) is N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-(pyrrolidine-3-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-(pyrrolidine-3-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-(pyrrolidine-3-carbonyl)pyrrolidine-3-carboxamide is C[C@@H](O)[C@H](NC(=O)C1CCN(C(=O)C2CCNC2)C1)C(N)=O.
What is the InChIKey of N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-(pyrrolidine-3-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is CJLLWRDXDCDASJ-SFXRXQKFSA-N. The full InChI is InChI=1S/C14H24N4O4/c1-8(19)11(12(15)20)17-13(21)10-3-5-18(7-10)14(22)9-2-4-16-6-9/h8-11,16,19H,2-7H2,1H3,(H2,15,20)(H,17,21)/t8-,9?,10?,11+/m1/s1.
What are the key properties of N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-(pyrrolidine-3-carbonyl)pyrrolidine-3-carboxamide?
N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-(pyrrolidine-3-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of -2.20, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-(pyrrolidine-3-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 130237986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).