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

C12H20N2O3 — CID 114173484

IUPACcis-(1R,3S)-3-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)CCCN1
InChIInChI=1S/C12H20N2O3/c1-12(5-2-6-13-12)11(17)14-9-4-3-8(7-9)10(15)16/h8-9,13H,2-7H2,1H3,(H,14,17)(H,15,16)/t8-,9+,12?/m1/s1
InChIKeyIVAGYBFGCGUSER-RLBMWQAVSA-N
MW240.30 g/mol
LogP0.50
Rot. Bonds3

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

cis-(1R,3S)-3-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 114173484) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID114173484
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namecis-(1R,3S)-3-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)CCCN1
InChIInChI=1S/C12H20N2O3/c1-12(5-2-6-13-12)11(17)14-9-4-3-8(7-9)10(15)16/h8-9,13H,2-7H2,1H3,(H,14,17)(H,15,16)/t8-,9+,12?/m1/s1
InChIKeyIVAGYBFGCGUSER-RLBMWQAVSA-N
XLogP0.50
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030179
(2S)-N-cyclopentyl-2-methylpyrrolidine-2-carboxamide
CID 92614973
2-methyl-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide
CID 103951245
N-(4-hydroxycyclohexyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride
CID 111425069
2-methyl-N-(2-methylpiperidin-4-yl)piperidine-2-carboxamide
CID 122081327
2-methyl-N-(3-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide
CID 113269284
2-methyl-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 131019627
3-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83071541
N-cycloheptyl-2-methylpiperidine-2-carboxamide
CID 113368551
4-[[(2-methylpyrrolidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79526034
2-methyl-N-[(2-methylcyclopropyl)methyl]pyrrolidine-2-carboxamide
CID 115747557
cis-(1S,3R)-3-[(3,5-dimethyladamantane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120674802

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 114173484) is cis-(1R,3S)-3-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid is CC1(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)CCCN1.
What is the InChIKey of cis-(1R,3S)-3-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is IVAGYBFGCGUSER-RLBMWQAVSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(5-2-6-13-12)11(17)14-9-4-3-8(7-9)10(15)16/h8-9,13H,2-7H2,1H3,(H,14,17)(H,15,16)/t8-,9+,12?/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.50, 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-methylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114173484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).