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

C17H21NO4 — CID 120679122

IUPACcis-(1R,3S)-3-[[4-(cyclopropylmethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C17H21NO4/c19-16(18-14-6-3-13(9-14)17(20)21)12-4-7-15(8-5-12)22-10-11-1-2-11/h4-5,7-8,11,13-14H,1-3,6,9-10H2,(H,18,19)(H,20,21)/t13-,14+/m1/s1
InChIKeyAHOXYCHAJSLVHN-KGLIPLIRSA-N
MW303.36 g/mol
LogP2.46
Rot. Bonds6

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

cis-(1R,3S)-3-[[4-(cyclopropylmethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120679122) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[4-(cyclopropylmethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[4-(cyclopropylmethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120679122
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Namecis-(1R,3S)-3-[[4-(cyclopropylmethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C17H21NO4/c19-16(18-14-6-3-13(9-14)17(20)21)12-4-7-15(8-5-12)22-10-11-1-2-11/h4-5,7-8,11,13-14H,1-3,6,9-10H2,(H,18,19)(H,20,21)/t13-,14+/m1/s1
InChIKeyAHOXYCHAJSLVHN-KGLIPLIRSA-N
XLogP2.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(piperidin-4-ylmethoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 67802753
3-[(4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032521
cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 114173152
cis-(1S,3R)-3-[(3,4-diethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120674848
carbonic acid;N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide
CID 67802755
2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
CID 66812671
cis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677236
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
cis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677359
cis-(1S,3R)-3-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676313
N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide;hydrochloride
CID 119602452
trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318292

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[4-(cyclopropylmethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[4-(cyclopropylmethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid (CID 120679122) is cis-(1R,3S)-3-[[4-(cyclopropylmethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[4-(cyclopropylmethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[4-(cyclopropylmethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid is O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(OCC2CC2)cc1.
What is the InChIKey of cis-(1R,3S)-3-[[4-(cyclopropylmethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is AHOXYCHAJSLVHN-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H21NO4/c19-16(18-14-6-3-13(9-14)17(20)21)12-4-7-15(8-5-12)22-10-11-1-2-11/h4-5,7-8,11,13-14H,1-3,6,9-10H2,(H,18,19)(H,20,21)/t13-,14+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[4-(cyclopropylmethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[4-(cyclopropylmethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[4-(cyclopropylmethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120679122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).