2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid

C19H27NO5 — CID 119211996

IUPAC2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1ccc(OC2CCCC2)c(OC)c1)C(=O)O
InChIInChI=1S/C19H27NO5/c1-4-12(2)17(19(22)23)20-18(21)13-9-10-15(16(11-13)24-3)25-14-7-5-6-8-14/h9-12,14,17H,4-8H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyUNWZCTPXFSWCFO-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.25
Rot. Bonds8

About 2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid

2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid (PubChem CID 119211996) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid
PubChem CID119211996
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1ccc(OC2CCCC2)c(OC)c1)C(=O)O
InChIInChI=1S/C19H27NO5/c1-4-12(2)17(19(22)23)20-18(21)13-9-10-15(16(11-13)24-3)25-14-7-5-6-8-14/h9-12,14,17H,4-8H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyUNWZCTPXFSWCFO-UHFFFAOYSA-N
XLogP3.25
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid
CID 119223918
2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]hexanoic acid
CID 120537921
4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47065905
4-cyclopentyloxy-N-[2-(dimethylamino)-1-phenylethyl]-3-methoxybenzamide
CID 78889552
2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 120512153
2-(4-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117414713
ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
CID 144796199
2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-3-methylpentanoic acid
CID 119211791
(2S,3S)-2-(1H-indole-5-carbonylamino)-3-methylpentanoic acid
CID 7096551
2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid
CID 43176189
2-[2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]phenyl]acetic acid
CID 119218458
ethyl (2S)-2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 57029347

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid?
The IUPAC name of 2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid (CID 119211996) is 2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)c1ccc(OC2CCCC2)c(OC)c1)C(=O)O.
What is the InChIKey of 2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid?
The InChIKey is UNWZCTPXFSWCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-4-12(2)17(19(22)23)20-18(21)13-9-10-15(16(11-13)24-3)25-14-7-5-6-8-14/h9-12,14,17H,4-8H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid?
2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid has a molecular weight of 349.43 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 119211996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).