(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid

C12H22N2O4 — CID 107567485

IUPAC(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)N1CCC(C(C)O)C1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-4-10(11(16)17)13-12(18)14-6-5-9(7-14)8(2)15/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17)/t8?,9?,10-/m0/s1
InChIKeyLEXUDLHHDGYSBZ-RTBKNWGFSA-N
MW258.32 g/mol
LogP0.65
Rot. Bonds5

About (2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid

(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid (PubChem CID 107567485) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid
PubChem CID107567485
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)N1CCC(C(C)O)C1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-4-10(11(16)17)13-12(18)14-6-5-9(7-14)8(2)15/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17)/t8?,9?,10-/m0/s1
InChIKeyLEXUDLHHDGYSBZ-RTBKNWGFSA-N
XLogP0.65
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanedioic acid
CID 103942887
(2R)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 103942895
(2S)-3-hydroxy-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 103942898
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanedioic acid
CID 103942890
(2S)-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 107146710
(2R)-2-[(3-propylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567557
(2R)-2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566773
3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 106836832
(2R)-4-hydroxy-2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 114005820
2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methoxybutanoic acid
CID 106836809
(2S,3R)-3-hydroxy-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 104966525
(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566112

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid (CID 107567485) is (2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid is CCC[C@H](NC(=O)N1CCC(C(C)O)C1)C(=O)O.
What is the InChIKey of (2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid?
The InChIKey is LEXUDLHHDGYSBZ-RTBKNWGFSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-4-10(11(16)17)13-12(18)14-6-5-9(7-14)8(2)15/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17)/t8?,9?,10-/m0/s1.
What are the key properties of (2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid?
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 107567485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).