(1R)-2-[(2R)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentane-1-carboxylic acid

C13H21NO5 — CID 139436584

IUPAC(1R)-2-[(2R)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentane-1-carboxylic acid
SMILESCOC(=O)N[C@@H](C(=O)C1CCC[C@H]1C(=O)O)C(C)C
InChIInChI=1S/C13H21NO5/c1-7(2)10(14-13(18)19-3)11(15)8-5-4-6-9(8)12(16)17/h7-10H,4-6H2,1-3H3,(H,14,18)(H,16,17)/t8?,9-,10-/m1/s1
InChIKeyZOORYXRNSHUARA-VXRWAFEHSA-N
MW271.31 g/mol
LogP1.44
Rot. Bonds5

About (1R)-2-[(2R)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentane-1-carboxylic acid

(1R)-2-[(2R)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentane-1-carboxylic acid (PubChem CID 139436584) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is (1R)-2-[(2R)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-2-[(2R)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentane-1-carboxylic acid
PubChem CID139436584
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name(1R)-2-[(2R)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentane-1-carboxylic acid
SMILESCOC(=O)N[C@@H](C(=O)C1CCC[C@H]1C(=O)O)C(C)C
InChIInChI=1S/C13H21NO5/c1-7(2)10(14-13(18)19-3)11(15)8-5-4-6-9(8)12(16)17/h7-10H,4-6H2,1-3H3,(H,14,18)(H,16,17)/t8?,9-,10-/m1/s1
InChIKeyZOORYXRNSHUARA-VXRWAFEHSA-N
XLogP1.44
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092157
cis-(1S,2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 106344045
methyl N-[(2S)-3-methyl-1-[[(1S,2S)-2-(methylcarbamoyl)cyclopentyl]amino]-1-oxobutan-2-yl]carbamate
CID 90136535
methyl N-[(2S)-3-methyl-1-[[(1R,2R)-2-(methylcarbamoyl)cyclopentyl]amino]-1-oxobutan-2-yl]carbamate
CID 90136539
2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 64817772
trans-(1R,2R)-2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 59166337
methyl N-[(2S)-3-methyl-1-oxo-1-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclohexyl]amino]butan-2-yl]carbamate
CID 58185325
2-(1-methoxypropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977801
cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 724026
(2S,4S)-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-4-methylpyrrolidine-2-carboxylic acid
CID 123195717
2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978580
methyl N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate
CID 58449518

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(2R)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of (1R)-2-[(2R)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentane-1-carboxylic acid (CID 139436584) is (1R)-2-[(2R)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R)-2-[(2R)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for (1R)-2-[(2R)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentane-1-carboxylic acid is COC(=O)N[C@@H](C(=O)C1CCC[C@H]1C(=O)O)C(C)C.
What is the InChIKey of (1R)-2-[(2R)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZOORYXRNSHUARA-VXRWAFEHSA-N. The full InChI is InChI=1S/C13H21NO5/c1-7(2)10(14-13(18)19-3)11(15)8-5-4-6-9(8)12(16)17/h7-10H,4-6H2,1-3H3,(H,14,18)(H,16,17)/t8?,9-,10-/m1/s1.
What are the key properties of (1R)-2-[(2R)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentane-1-carboxylic acid?
(1R)-2-[(2R)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentane-1-carboxylic acid has a molecular weight of 271.31 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(2R)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 139436584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).