(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid

C9H16N2O4 — CID 80750294

IUPAC(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid
SMILESNC1(C(=O)N[C@H](CO)C(=O)O)CCCC1
InChIInChI=1S/C9H16N2O4/c10-9(3-1-2-4-9)8(15)11-6(5-12)7(13)14/h6,12H,1-5,10H2,(H,11,15)(H,13,14)/t6-/m1/s1
InChIKeyUPXBGNGXCWTGJY-ZCFIWIBFSA-N
MW216.24 g/mol
LogP-1.18
Rot. Bonds4

About (2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid

(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid (PubChem CID 80750294) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid
PubChem CID80750294
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid
SMILESNC1(C(=O)N[C@H](CO)C(=O)O)CCCC1
InChIInChI=1S/C9H16N2O4/c10-9(3-1-2-4-9)8(15)11-6(5-12)7(13)14/h6,12H,1-5,10H2,(H,11,15)(H,13,14)/t6-/m1/s1
InChIKeyUPXBGNGXCWTGJY-ZCFIWIBFSA-N
XLogP-1.18
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-hydroxybutanoic acid
CID 107824951
(2R)-4-amino-2-[(1-aminocyclopentanecarbonyl)amino]-4-oxobutanoic acid
CID 103870336
2-[(1-aminocyclopentanecarbonyl)amino]-4-methylpentanoic acid
CID 61157147
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-methylsulfanylbutanoic acid
CID 61160012
(2R)-2-[(3-amino-1-methylpyrrolidine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 89470212
(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-phenylpropanoic acid
CID 103869046
2-[(1-aminocyclopropanecarbonyl)amino]pentanoic acid
CID 65463645
1-amino-N-[(2R)-1-hydroxybutan-2-yl]cyclopentane-1-carboxamide
CID 93315413
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 139663590
(2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-hydroxypropanoic acid
CID 79854103
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-3-hydroxypropanoic acid
CID 113310101
3-[(1-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid
CID 62675201

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid (CID 80750294) is (2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid is NC1(C(=O)N[C@H](CO)C(=O)O)CCCC1.
What is the InChIKey of (2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid?
The InChIKey is UPXBGNGXCWTGJY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H16N2O4/c10-9(3-1-2-4-9)8(15)11-6(5-12)7(13)14/h6,12H,1-5,10H2,(H,11,15)(H,13,14)/t6-/m1/s1.
What are the key properties of (2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid?
(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid has a molecular weight of 216.24 g/mol, XLogP of -1.18, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80750294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).