(2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]pentanoic acid

C10H18N2O5 — CID 107567840

IUPAC(2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)N1CC(O)C(O)C1)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-2-3-6(9(15)16)11-10(17)12-4-7(13)8(14)5-12/h6-8,13-14H,2-5H2,1H3,(H,11,17)(H,15,16)/t6-,7?,8?/m0/s1
InChIKeyCJCHSNCPHJBJQZ-KKMMWDRVSA-N
MW246.26 g/mol
LogP-1.01
Rot. Bonds4

About (2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]pentanoic acid

(2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]pentanoic acid (PubChem CID 107567840) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]pentanoic acid
PubChem CID107567840
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name(2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)N1CC(O)C(O)C1)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-2-3-6(9(15)16)11-10(17)12-4-7(13)8(14)5-12/h6-8,13-14H,2-5H2,1H3,(H,11,17)(H,15,16)/t6-,7?,8?/m0/s1
InChIKeyCJCHSNCPHJBJQZ-KKMMWDRVSA-N
XLogP-1.01
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 103536440
(2R)-2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567836
(2R)-5-amino-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107831204
(2R)-2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566773
(2R)-2-[(3-propylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567557
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid
CID 107567485
(2S)-2-[(4-methylpiperazine-1-carbonyl)amino]pentanoic acid
CID 107565857
3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]hexanoic acid
CID 106670612
(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566112
(2R)-2-(3,6-dihydro-2H-pyridine-1-carbonylamino)pentanoic acid
CID 107567733
2-(3,6-dihydro-2H-pyridine-1-carbonylamino)pentanoic acid
CID 114411673
(2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]pentanoic acid
CID 107567351

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]pentanoic acid (CID 107567840) is (2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]pentanoic acid is CCC[C@H](NC(=O)N1CC(O)C(O)C1)C(=O)O.
What is the InChIKey of (2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]pentanoic acid?
The InChIKey is CJCHSNCPHJBJQZ-KKMMWDRVSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-2-3-6(9(15)16)11-10(17)12-4-7(13)8(14)5-12/h6-8,13-14H,2-5H2,1H3,(H,11,17)(H,15,16)/t6-,7?,8?/m0/s1.
What are the key properties of (2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]pentanoic acid?
(2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]pentanoic acid has a molecular weight of 246.26 g/mol, XLogP of -1.01, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107567840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).