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

C10H18N2O4 — CID 64824797

IUPAC2-[(2-aminocyclohexanecarbonyl)amino]-3-hydroxypropanoic acid
SMILESNC1CCCCC1C(=O)NC(CO)C(=O)O
InChIInChI=1S/C10H18N2O4/c11-7-4-2-1-3-6(7)9(14)12-8(5-13)10(15)16/h6-8,13H,1-5,11H2,(H,12,14)(H,15,16)
InChIKeyVRPSVGMEAWUXJP-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.93
Rot. Bonds4

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

2-[(2-aminocyclohexanecarbonyl)amino]-3-hydroxypropanoic acid (PubChem CID 64824797) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[(2-aminocyclohexanecarbonyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(2-aminocyclohexanecarbonyl)amino]-3-hydroxypropanoic acid
PubChem CID64824797
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[(2-aminocyclohexanecarbonyl)amino]-3-hydroxypropanoic acid
SMILESNC1CCCCC1C(=O)NC(CO)C(=O)O
InChIInChI=1S/C10H18N2O4/c11-7-4-2-1-3-6(7)9(14)12-8(5-13)10(15)16/h6-8,13H,1-5,11H2,(H,12,14)(H,15,16)
InChIKeyVRPSVGMEAWUXJP-UHFFFAOYSA-N
XLogP-0.93
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid
CID 64824798
(2R)-5-amino-2-[(2-aminocyclohexanecarbonyl)amino]-5-oxopentanoic acid
CID 107830206
2-[(2-aminocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 64824444
2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclopropylacetic acid
CID 64824819
(2R)-2-[(2-aminocycloheptanecarbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104909206
2-[(2-aminocyclohexanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82786153
(2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3-phenylpropanoic acid
CID 103869014
(2R)-2-[(2-aminocycloheptanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 103870594
2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclohexylacetic acid
CID 64822459
(2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3,3-dimethylbutanoic acid
CID 103927341
2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride
CID 119668927
(2R)-3-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 80747756

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexanecarbonyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(2-aminocyclohexanecarbonyl)amino]-3-hydroxypropanoic acid (CID 64824797) is 2-[(2-aminocyclohexanecarbonyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(2-aminocyclohexanecarbonyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(2-aminocyclohexanecarbonyl)amino]-3-hydroxypropanoic acid is NC1CCCCC1C(=O)NC(CO)C(=O)O.
What is the InChIKey of 2-[(2-aminocyclohexanecarbonyl)amino]-3-hydroxypropanoic acid?
The InChIKey is VRPSVGMEAWUXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c11-7-4-2-1-3-6(7)9(14)12-8(5-13)10(15)16/h6-8,13H,1-5,11H2,(H,12,14)(H,15,16).
What are the key properties of 2-[(2-aminocyclohexanecarbonyl)amino]-3-hydroxypropanoic acid?
2-[(2-aminocyclohexanecarbonyl)amino]-3-hydroxypropanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.93, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclohexanecarbonyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 64824797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).