cis-(1S,3R)-3-[[3-[4-(aminomethyl)phenyl]benzoyl]amino]cyclopentane-1-carboxylic acid

C20H22N2O3 — CID 154868807

IUPACcis-(1S,3R)-3-[[3-[4-(aminomethyl)phenyl]benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESNCc1ccc(-c2cccc(C(=O)N[C@@H]3CC[C@H](C(=O)O)C3)c2)cc1
InChIInChI=1S/C20H22N2O3/c21-12-13-4-6-14(7-5-13)15-2-1-3-16(10-15)19(23)22-18-9-8-17(11-18)20(24)25/h1-7,10,17-18H,8-9,11-12,21H2,(H,22,23)(H,24,25)/t17-,18+/m0/s1
InChIKeyWCUSRYWDJJNGDD-ZWKOTPCHSA-N
MW338.41 g/mol
LogP2.80
Rot. Bonds5

About cis-(1S,3R)-3-[[3-[4-(aminomethyl)phenyl]benzoyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[3-[4-(aminomethyl)phenyl]benzoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 154868807) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[3-[4-(aminomethyl)phenyl]benzoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[3-[4-(aminomethyl)phenyl]benzoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID154868807
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namecis-(1S,3R)-3-[[3-[4-(aminomethyl)phenyl]benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESNCc1ccc(-c2cccc(C(=O)N[C@@H]3CC[C@H](C(=O)O)C3)c2)cc1
InChIInChI=1S/C20H22N2O3/c21-12-13-4-6-14(7-5-13)15-2-1-3-16(10-15)19(23)22-18-9-8-17(11-18)20(24)25/h1-7,10,17-18H,8-9,11-12,21H2,(H,22,23)(H,24,25)/t17-,18+/m0/s1
InChIKeyWCUSRYWDJJNGDD-ZWKOTPCHSA-N
XLogP2.80
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320083
cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320931
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
cis-(1R,3S)-3-[(3-benzylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677215
cis-(1S,3R)-3-[[3-(3,6-dihydro-2H-pyran-4-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 167820137
3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 66030146
cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 114173152
N-benzyl-3-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 117087146
cis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675705
cis-(1R,3S)-3-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678069
cis-(1S,3R)-3-[[5-(3-methylphenyl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675656
3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044355

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[3-[4-(aminomethyl)phenyl]benzoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[3-[4-(aminomethyl)phenyl]benzoyl]amino]cyclopentane-1-carboxylic acid (CID 154868807) is cis-(1S,3R)-3-[[3-[4-(aminomethyl)phenyl]benzoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[3-[4-(aminomethyl)phenyl]benzoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[3-[4-(aminomethyl)phenyl]benzoyl]amino]cyclopentane-1-carboxylic acid is NCc1ccc(-c2cccc(C(=O)N[C@@H]3CC[C@H](C(=O)O)C3)c2)cc1.
What is the InChIKey of cis-(1S,3R)-3-[[3-[4-(aminomethyl)phenyl]benzoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is WCUSRYWDJJNGDD-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H22N2O3/c21-12-13-4-6-14(7-5-13)15-2-1-3-16(10-15)19(23)22-18-9-8-17(11-18)20(24)25/h1-7,10,17-18H,8-9,11-12,21H2,(H,22,23)(H,24,25)/t17-,18+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[3-[4-(aminomethyl)phenyl]benzoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[3-[4-(aminomethyl)phenyl]benzoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 338.41 g/mol, XLogP of 2.80, 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-[[3-[4-(aminomethyl)phenyl]benzoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 154868807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).