cis-(1S,3R)-3-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]cyclopentane-1-carboxylic acid

C19H26N2O4 — CID 120676313

IUPACcis-(1S,3R)-3-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)C(=O)NCc1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)cc1
InChIInChI=1S/C19H26N2O4/c1-19(2,3)18(25)20-11-12-4-6-13(7-5-12)16(22)21-15-9-8-14(10-15)17(23)24/h4-7,14-15H,8-11H2,1-3H3,(H,20,25)(H,21,22)(H,23,24)/t14-,15+/m0/s1
InChIKeyRZSRIPAUESLSPG-LSDHHAIUSA-N
MW346.43 g/mol
LogP2.33
Rot. Bonds5

About cis-(1S,3R)-3-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120676313) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120676313
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Namecis-(1S,3R)-3-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)C(=O)NCc1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)cc1
InChIInChI=1S/C19H26N2O4/c1-19(2,3)18(25)20-11-12-4-6-13(7-5-12)16(22)21-15-9-8-14(10-15)17(23)24/h4-7,14-15H,8-11H2,1-3H3,(H,20,25)(H,21,22)(H,23,24)/t14-,15+/m0/s1
InChIKeyRZSRIPAUESLSPG-LSDHHAIUSA-N
XLogP2.33
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677359
cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 114173152
4-[(2,2-dimethylpropanoylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450570
4-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229257
4-[(carbamoylamino)methyl]-N-(3-methylcyclopentyl)benzamide
CID 114549437
4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229777
3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043093
4-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 60809354
cis-(1R,3S)-3-[[4-(phenylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678421
4-(acetamidomethyl)-N-(4-methylcyclohexyl)benzamide
CID 17431349
cis-(1R,3S)-3-[[4-(cyclopropylmethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120679122
methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate
CID 110465113

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]cyclopentane-1-carboxylic acid (CID 120676313) is cis-(1S,3R)-3-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]cyclopentane-1-carboxylic acid is CC(C)(C)C(=O)NCc1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)cc1.
What is the InChIKey of cis-(1S,3R)-3-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is RZSRIPAUESLSPG-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-19(2,3)18(25)20-11-12-4-6-13(7-5-12)16(22)21-15-9-8-14(10-15)17(23)24/h4-7,14-15H,8-11H2,1-3H3,(H,20,25)(H,21,22)(H,23,24)/t14-,15+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120676313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).