cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

C14H24N2O3 — CID 114173106

IUPACcis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC1CCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)C1
InChIInChI=1S/C14H24N2O3/c1-9-2-3-10(6-9)8-15-14(19)16-12-5-4-11(7-12)13(17)18/h9-12H,2-8H2,1H3,(H,17,18)(H2,15,16,19)/t9?,10?,11-,12+/m1/s1
InChIKeyLVNLAJHVRODOFD-HCWSGVFWSA-N
MW268.36 g/mol
LogP1.98
Rot. Bonds4

About cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 114173106) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID114173106
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namecis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC1CCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)C1
InChIInChI=1S/C14H24N2O3/c1-9-2-3-10(6-9)8-15-14(19)16-12-5-4-11(7-12)13(17)18/h9-12H,2-8H2,1H3,(H,17,18)(H2,15,16,19)/t9?,10?,11-,12+/m1/s1
InChIKeyLVNLAJHVRODOFD-HCWSGVFWSA-N
XLogP1.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
2-[[(3-methylcyclopentyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 114548909
3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032847
4-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 79524947
cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319362
cis-(1R,3S)-3-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106320505
3-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032224
(2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
CID 107414492
3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 102907107
3-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63042641
3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032016

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 114173106) is cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is CC1CCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)C1.
What is the InChIKey of cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is LVNLAJHVRODOFD-HCWSGVFWSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9-2-3-10(6-9)8-15-14(19)16-12-5-4-11(7-12)13(17)18/h9-12H,2-8H2,1H3,(H,17,18)(H2,15,16,19)/t9?,10?,11-,12+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114173106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).