cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid

C11H18N2O3 — CID 106323981

IUPACcis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCC1CC1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H18N2O3/c14-10(15)8-3-4-9(5-8)13-11(16)12-6-7-1-2-7/h7-9H,1-6H2,(H,14,15)(H2,12,13,16)/t8-,9+/m1/s1
InChIKeyCBLHKMMHTFYYJV-BDAKNGLRSA-N
MW226.28 g/mol
LogP0.95
Rot. Bonds4

About cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 106323981) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID106323981
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Namecis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCC1CC1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H18N2O3/c14-10(15)8-3-4-9(5-8)13-11(16)12-6-7-1-2-7/h7-9H,1-6H2,(H,14,15)(H2,12,13,16)/t8-,9+/m1/s1
InChIKeyCBLHKMMHTFYYJV-BDAKNGLRSA-N
XLogP0.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173106
4-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 79524947
3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032847
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032016
cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319362
3-(oxan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032045
cis-(1R,3S)-3-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106320505
cis-(1R,3S)-3-(2-ethoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319333
1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 115590484
cis-(1R,3S)-3-[(2-cyclopropylacetyl)amino]cyclopentane-1-carboxylic acid
CID 106320836
3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 102907107

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 106323981) is cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid is O=C(NCC1CC1)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is CBLHKMMHTFYYJV-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-10(15)8-3-4-9(5-8)13-11(16)12-6-7-1-2-7/h7-9H,1-6H2,(H,14,15)(H2,12,13,16)/t8-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 0.95, 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-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106323981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).