(2S)-4-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid

C12H22N2O4 — CID 107828904

IUPAC(2S)-4-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid
SMILESCCCC1CCN(C(=O)N[C@@H](CCO)C(=O)O)C1
InChIInChI=1S/C12H22N2O4/c1-2-3-9-4-6-14(8-9)12(18)13-10(5-7-15)11(16)17/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)/t9?,10-/m0/s1
InChIKeyLBFSIPPWWIXYHR-AXDSSHIGSA-N
MW258.32 g/mol
LogP0.65
Rot. Bonds6

About (2S)-4-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid

(2S)-4-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid (PubChem CID 107828904) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid
PubChem CID107828904
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name(2S)-4-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid
SMILESCCCC1CCN(C(=O)N[C@@H](CCO)C(=O)O)C1
InChIInChI=1S/C12H22N2O4/c1-2-3-9-4-6-14(8-9)12(18)13-10(5-7-15)11(16)17/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)/t9?,10-/m0/s1
InChIKeyLBFSIPPWWIXYHR-AXDSSHIGSA-N
XLogP0.65
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-hydroxy-2-[(4-propylpiperidine-1-carbonyl)amino]butanoic acid
CID 107827463
(2R)-2-[(3-propylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567557
(2R)-2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566773
(2R)-4-hydroxy-2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 114005820
(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566112
(2S)-4-hydroxy-2-[(3-hydroxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 107827615
4-hydroxy-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 63977875
(2S,3R)-3-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 104966563
2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-4-hydroxybutanoic acid
CID 63550411
(2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 107826333
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]hexanoic acid
CID 64598838
2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 114082317

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid (CID 107828904) is (2S)-4-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid is CCCC1CCN(C(=O)N[C@@H](CCO)C(=O)O)C1.
What is the InChIKey of (2S)-4-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid?
The InChIKey is LBFSIPPWWIXYHR-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-2-3-9-4-6-14(8-9)12(18)13-10(5-7-15)11(16)17/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)/t9?,10-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid?
(2S)-4-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107828904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).