cis-(1S,3R)-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid

C17H23NO5 — CID 120675150

IUPACcis-(1S,3R)-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1cc(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)ccc1OC(C)C
InChIInChI=1S/C17H23NO5/c1-10(2)23-14-7-5-11(9-15(14)22-3)16(19)18-13-6-4-12(8-13)17(20)21/h5,7,9-10,12-13H,4,6,8H2,1-3H3,(H,18,19)(H,20,21)/t12-,13+/m0/s1
InChIKeyQZVSTXGELAPMHC-QWHCGFSZSA-N
MW321.37 g/mol
LogP2.47
Rot. Bonds6

About cis-(1S,3R)-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120675150) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120675150
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Namecis-(1S,3R)-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1cc(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)ccc1OC(C)C
InChIInChI=1S/C17H23NO5/c1-10(2)23-14-7-5-11(9-15(14)22-3)16(19)18-13-6-4-12(8-13)17(20)21/h5,7,9-10,12-13H,4,6,8H2,1-3H3,(H,18,19)(H,20,21)/t12-,13+/m0/s1
InChIKeyQZVSTXGELAPMHC-QWHCGFSZSA-N
XLogP2.47
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3R)-3-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675967
3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044376
cis-(1S,3R)-3-[(3,4-diethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120674848
3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550324
3-methoxy-N-[(1R,2S)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550322
cis-(1R,3S)-3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677585
(3S,5R)-5-[(3,4-dimethoxybenzoyl)amino]piperidine-3-carboxylic acid
CID 141160918
N-cyclohexyl-4-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-methylbenzamide
CID 55992962
3-methoxy-N-(2-methylpiperidin-3-yl)-4-propan-2-yloxybenzamide
CID 120573745
3-amino-N-(3-methylcyclohexyl)-4-propan-2-yloxybenzamide
CID 43912271
3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 55695101
N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride
CID 119620952

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid (CID 120675150) is cis-(1S,3R)-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid is COc1cc(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)ccc1OC(C)C.
What is the InChIKey of cis-(1S,3R)-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is QZVSTXGELAPMHC-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H23NO5/c1-10(2)23-14-7-5-11(9-15(14)22-3)16(19)18-13-6-4-12(8-13)17(20)21/h5,7,9-10,12-13H,4,6,8H2,1-3H3,(H,18,19)(H,20,21)/t12-,13+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 321.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).