cis-(1R,3S)-3-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]cyclopentane-1-carboxylic acid

C14H19N3O3 — CID 106319865

IUPACcis-(1R,3S)-3-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(NC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c(C)n1
InChIInChI=1S/C14H19N3O3/c1-8-3-6-12(9(2)15-8)17-14(20)16-11-5-4-10(7-11)13(18)19/h3,6,10-11H,4-5,7H2,1-2H3,(H,18,19)(H2,16,17,20)/t10-,11+/m1/s1
InChIKeyFFIGVATUCKYHCU-MNOVXSKESA-N
MW277.32 g/mol
LogP2.07
Rot. Bonds3

About cis-(1R,3S)-3-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 106319865) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID106319865
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namecis-(1R,3S)-3-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(NC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c(C)n1
InChIInChI=1S/C14H19N3O3/c1-8-3-6-12(9(2)15-8)17-14(20)16-11-5-4-10(7-11)13(18)19/h3,6,10-11H,4-5,7H2,1-2H3,(H,18,19)(H2,16,17,20)/t10-,11+/m1/s1
InChIKeyFFIGVATUCKYHCU-MNOVXSKESA-N
XLogP2.07
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66030426
3-[(2-bromo-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031810
cis-(1R,3S)-3-[(2,4-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324030
cis-(1R,3S)-3-[(2-bromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114173616
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479
cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324088
3-[(4-bromo-2-ethylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 81289601
3-[(2-bromo-4-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 81281055
cis-(1R,3S)-3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320313
cis-(1R,3S)-3-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319305
cis-(1R,3S)-3-[(2-ethyl-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106323996
3-[[2-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031233

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 106319865) is cis-(1R,3S)-3-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]cyclopentane-1-carboxylic acid is Cc1ccc(NC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c(C)n1.
What is the InChIKey of cis-(1R,3S)-3-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is FFIGVATUCKYHCU-MNOVXSKESA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8-3-6-12(9(2)15-8)17-14(20)16-11-5-4-10(7-11)13(18)19/h3,6,10-11H,4-5,7H2,1-2H3,(H,18,19)(H2,16,17,20)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106319865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).