2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid

C10H17NO4 — CID 107214513

IUPAC2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESC[C@@H](CO)NC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C10H17NO4/c1-6(5-12)11-9(13)7-3-2-4-8(7)10(14)15/h6-8,12H,2-5H2,1H3,(H,11,13)(H,14,15)/t6-,7?,8?/m0/s1
InChIKeyXLKRZMGYLTZENA-KKMMWDRVSA-N
MW215.25 g/mol
LogP-0.02
Rot. Bonds4

About 2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid

2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 107214513) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID107214513
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESC[C@@H](CO)NC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C10H17NO4/c1-6(5-12)11-9(13)7-3-2-4-8(7)10(14)15/h6-8,12H,2-5H2,1H3,(H,11,13)(H,14,15)/t6-,7?,8?/m0/s1
InChIKeyXLKRZMGYLTZENA-KKMMWDRVSA-N
XLogP-0.02
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 ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103979109
2-(1-methoxypropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977801
2-[1-(diethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978652
cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 724026
N-(1-hydroxypropan-2-yl)cyclobutanecarboxamide
CID 43418906
(1S,6R)-6-(1-hydroxypropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962101
cis-(1S,2R)-2-[[(2S)-heptan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 40579347
2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978580
2-[[(2S)-1-hydroxybutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 107214907
2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979033
cis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092157
2-(3-ethylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63841768

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid (CID 107214513) is 2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid is C[C@@H](CO)NC(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is XLKRZMGYLTZENA-KKMMWDRVSA-N. The full InChI is InChI=1S/C10H17NO4/c1-6(5-12)11-9(13)7-3-2-4-8(7)10(14)15/h6-8,12H,2-5H2,1H3,(H,11,13)(H,14,15)/t6-,7?,8?/m0/s1.
What are the key properties of 2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid?
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107214513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).