3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid

C10H17NO4 — CID 66173795

IUPAC3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C10H17NO4/c1-10(15,9(13)14)6-11-8(12)7-4-2-3-5-7/h7,15H,2-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyDXKMPBUKASLGLI-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.13
Rot. Bonds4

About 3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid

3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid (PubChem CID 66173795) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid
PubChem CID66173795
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C10H17NO4/c1-10(15,9(13)14)6-11-8(12)7-4-2-3-5-7/h7,15H,2-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyDXKMPBUKASLGLI-UHFFFAOYSA-N
XLogP0.13
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylpropyl)cyclohexanecarboxamide
CID 65109688
2-hydroxy-2-methyl-3-(pyrrolidine-3-carbonylamino)propanoic acid
CID 66177040
3-[[2-(aminomethyl)cyclohexanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175768
N-(2-cyclopropyl-2-hydroxypropyl)cyclohexanecarboxamide
CID 90499250
2-hydroxy-2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
CID 66172342
N-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide
CID 153313338
4-(cyclooctanecarbonylamino)-2,2-dimethylbutanoic acid
CID 114285462
2-hydroxy-2-methyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 104901235
N-(2-cyclopropyl-2-hydroxypropyl)cyclobutanecarboxamide
CID 90499246
N-(3-amino-2,2-dimethylpropyl)cyclohexanecarboxamide
CID 115365726
2-hydroxy-2-methyl-3-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 66172151
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopentanecarboxamide
CID 90522931

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid (CID 66173795) is 3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid is CC(O)(CNC(=O)C1CCCC1)C(=O)O.
What is the InChIKey of 3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid?
The InChIKey is DXKMPBUKASLGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(15,9(13)14)6-11-8(12)7-4-2-3-5-7/h7,15H,2-6H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid?
3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66173795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).