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

C9H16N2O4 — CID 64824798

IUPAC2-[(2-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid
SMILESNC1CCCC1C(=O)NC(CO)C(=O)O
InChIInChI=1S/C9H16N2O4/c10-6-3-1-2-5(6)8(13)11-7(4-12)9(14)15/h5-7,12H,1-4,10H2,(H,11,13)(H,14,15)
InChIKeyIHMOYFAPFABVPL-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.32
Rot. Bonds4

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

2-[(2-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid (PubChem CID 64824798) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[(2-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(2-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid
PubChem CID64824798
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-[(2-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid
SMILESNC1CCCC1C(=O)NC(CO)C(=O)O
InChIInChI=1S/C9H16N2O4/c10-6-3-1-2-5(6)8(13)11-7(4-12)9(14)15/h5-7,12H,1-4,10H2,(H,11,13)(H,14,15)
InChIKeyIHMOYFAPFABVPL-UHFFFAOYSA-N
XLogP-1.32
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 ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-aminocyclohexanecarbonyl)amino]-3-hydroxypropanoic acid
CID 64824797
(2R)-5-amino-2-[(2-aminocyclohexanecarbonyl)amino]-5-oxopentanoic acid
CID 107830206
2-[(2-aminocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 64824444
(2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3-phenylpropanoic acid
CID 103869014
2-[(2-aminocyclohexanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82786153
(2R)-2-[(2-aminocycloheptanecarbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104909206
cis-(1R,2S)-2-amino-N-propan-2-ylcyclopentane-1-carboxamide
CID 67437509
2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclopropylacetic acid
CID 64824819
(2R)-2-[(2-aminocycloheptanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 103870594
3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid
CID 64824606
2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclohexylacetic acid
CID 64822459
3-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid
CID 64824640

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(2-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid (CID 64824798) is 2-[(2-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(2-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(2-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid is NC1CCCC1C(=O)NC(CO)C(=O)O.
What is the InChIKey of 2-[(2-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid?
The InChIKey is IHMOYFAPFABVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c10-6-3-1-2-5(6)8(13)11-7(4-12)9(14)15/h5-7,12H,1-4,10H2,(H,11,13)(H,14,15).
What are the key properties of 2-[(2-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid?
2-[(2-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid has a molecular weight of 216.24 g/mol, XLogP of -1.32, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 64824798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).