cis-(1R,2S)-4-methyl-2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid

C15H27NO3 — CID 114091957

IUPACcis-(1R,2S)-4-methyl-2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)CN(C(=O)[C@H]1CC(C)C[C@H]1C(=O)O)C(C)C
InChIInChI=1S/C15H27NO3/c1-9(2)8-16(10(3)4)14(17)12-6-11(5)7-13(12)15(18)19/h9-13H,6-8H2,1-5H3,(H,18,19)/t11?,12-,13+/m0/s1
InChIKeyKWSLDIJSLFBPNM-LWNNLKQOSA-N
MW269.38 g/mol
LogP2.63
Rot. Bonds5

About cis-(1R,2S)-4-methyl-2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid

cis-(1R,2S)-4-methyl-2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114091957) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is cis-(1R,2S)-4-methyl-2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-4-methyl-2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114091957
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namecis-(1R,2S)-4-methyl-2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)CN(C(=O)[C@H]1CC(C)C[C@H]1C(=O)O)C(C)C
InChIInChI=1S/C15H27NO3/c1-9(2)8-16(10(3)4)14(17)12-6-11(5)7-13(12)15(18)19/h9-13H,6-8H2,1-5H3,(H,18,19)/t11?,12-,13+/m0/s1
InChIKeyKWSLDIJSLFBPNM-LWNNLKQOSA-N
XLogP2.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60948640
(1S,6R)-6-[2-methylpropyl(propan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 58666340
cis-(1S,2R)-2-[ethyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93311627
2-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 103187928
cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93344004
2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60948460
4-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390819
cis-(1S,2R)-2-[benzyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320338
2-[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390721
2-[2-cyanoethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54876322
2-[3-hydroxybutyl(methyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391386
4-ethyl-2-[methyl(2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511275

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-4-methyl-2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-4-methyl-2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114091957) is cis-(1R,2S)-4-methyl-2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-4-methyl-2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-4-methyl-2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid is CC(C)CN(C(=O)[C@H]1CC(C)C[C@H]1C(=O)O)C(C)C.
What is the InChIKey of cis-(1R,2S)-4-methyl-2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is KWSLDIJSLFBPNM-LWNNLKQOSA-N. The full InChI is InChI=1S/C15H27NO3/c1-9(2)8-16(10(3)4)14(17)12-6-11(5)7-13(12)15(18)19/h9-13H,6-8H2,1-5H3,(H,18,19)/t11?,12-,13+/m0/s1.
What are the key properties of cis-(1R,2S)-4-methyl-2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
cis-(1R,2S)-4-methyl-2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-4-methyl-2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114091957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).