cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid

C11H17NO3 — CID 97030816

IUPACcis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
SMILESC[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C11H17NO3/c1-6-4-9(6)10(13)12-8-3-2-7(5-8)11(14)15/h6-9H,2-5H2,1H3,(H,12,13)(H,14,15)/t6-,7+,8-,9+/m1/s1
InChIKeyXHPYETVGMMJXTR-XAVMHZPKSA-N
MW211.26 g/mol
LogP1.01
Rot. Bonds3

About cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 97030816) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID97030816
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namecis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
SMILESC[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C11H17NO3/c1-6-4-9(6)10(13)12-8-3-2-7(5-8)11(14)15/h6-9H,2-5H2,1H3,(H,12,13)(H,14,15)/t6-,7+,8-,9+/m1/s1
InChIKeyXHPYETVGMMJXTR-XAVMHZPKSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

2-methyl-N-(3-methylcyclopentyl)cyclopropane-1-carboxamide
CID 114549485
3-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030768
3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764
cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
CID 106320767
cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679065
4-[(4-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63715319
2-[(3-methylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114543550
cis-(1S,3R)-3-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120675005
2-methyl-N-(3-methylcyclobutyl)cyclopropane-1-carboxamide
CID 130668952
3-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66031370
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2-methylcyclopropane-1-carboxamide
CID 43603815
cis-(1S,2R)-N-[4-(methanesulfonamido)cyclohexyl]-2-methylcyclopropane-1-carboxamide
CID 97091522

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid (CID 97030816) is cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid is C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is XHPYETVGMMJXTR-XAVMHZPKSA-N. The full InChI is InChI=1S/C11H17NO3/c1-6-4-9(6)10(13)12-8-3-2-7(5-8)11(14)15/h6-9H,2-5H2,1H3,(H,12,13)(H,14,15)/t6-,7+,8-,9+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 97030816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).