(3R)-3-(4-cyclopentyloxyphenyl)-3-[[(3S)-3-phenylbutanoyl]amino]propanoate

C24H28NO4- — CID 7320291

IUPAC(3R)-3-(4-cyclopentyloxyphenyl)-3-[[(3S)-3-phenylbutanoyl]amino]propanoate
SMILESC[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C24H29NO4/c1-17(18-7-3-2-4-8-18)15-23(26)25-22(16-24(27)28)19-11-13-21(14-12-19)29-20-9-5-6-10-20/h2-4,7-8,11-14,17,20,22H,5-6,9-10,15-16H2,1H3,(H,25,26)(H,27,28)/p-1/t17-,22+/m0/s1
InChIKeyHTIMCRZFXNWJNF-HTAPYJJXSA-M
MW394.49 g/mol
LogP3.50
Rot. Bonds9

About (3R)-3-(4-cyclopentyloxyphenyl)-3-[[(3S)-3-phenylbutanoyl]amino]propanoate

(3R)-3-(4-cyclopentyloxyphenyl)-3-[[(3S)-3-phenylbutanoyl]amino]propanoate (PubChem CID 7320291) has the molecular formula C24H28NO4- and a molecular weight of 394.49 g/mol. Its IUPAC name is (3R)-3-(4-cyclopentyloxyphenyl)-3-[[(3S)-3-phenylbutanoyl]amino]propanoate.

Molecular Properties

Compound Name(3R)-3-(4-cyclopentyloxyphenyl)-3-[[(3S)-3-phenylbutanoyl]amino]propanoate
PubChem CID7320291
Molecular FormulaC24H28NO4-
Molecular Weight394.49 g/mol
Exact Mass394.20
IUPAC Name(3R)-3-(4-cyclopentyloxyphenyl)-3-[[(3S)-3-phenylbutanoyl]amino]propanoate
SMILESC[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C24H29NO4/c1-17(18-7-3-2-4-8-18)15-23(26)25-22(16-24(27)28)19-11-13-21(14-12-19)29-20-9-5-6-10-20/h2-4,7-8,11-14,17,20,22H,5-6,9-10,15-16H2,1H3,(H,25,26)(H,27,28)/p-1/t17-,22+/m0/s1
InChIKeyHTIMCRZFXNWJNF-HTAPYJJXSA-M
XLogP3.50
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[[(3S)-3-phenylbutanoyl]amino]-3-(4-propan-2-yloxyphenyl)propanoate
CID 7044840
(3S)-3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoate
CID 7320301
3-(4-cyclopentyloxyphenyl)-3-(2-phenoxypropanoylamino)propanoic acid
CID 4917671
3-(3-phenylbutanoylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 4042816
(3R)-3-(4-cyclopentyloxyphenyl)-3-[(3-methyl-2-nitrobenzoyl)amino]propanoate
CID 7057816
(3S)-3-phenylbutanoate
CID 6950118
(3R)-3-(cyclohexanecarbonylamino)-3-phenylpropanoate
CID 8022396
(3R)-3-amino-3-(4-cyclopentyloxyphenyl)propanoic acid
CID 1382002
methyl 3-[4-(4-phenylcyclohexyl)oxyphenyl]butanoate
CID 70954099
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
(3S)-3-acetamido-3-phenylpropanoate
CID 6935995
N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide
CID 24613384

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-cyclopentyloxyphenyl)-3-[[(3S)-3-phenylbutanoyl]amino]propanoate?
The IUPAC name of (3R)-3-(4-cyclopentyloxyphenyl)-3-[[(3S)-3-phenylbutanoyl]amino]propanoate (CID 7320291) is (3R)-3-(4-cyclopentyloxyphenyl)-3-[[(3S)-3-phenylbutanoyl]amino]propanoate.
What is the SMILES notation for (3R)-3-(4-cyclopentyloxyphenyl)-3-[[(3S)-3-phenylbutanoyl]amino]propanoate?
The canonical SMILES for (3R)-3-(4-cyclopentyloxyphenyl)-3-[[(3S)-3-phenylbutanoyl]amino]propanoate is C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC2CCCC2)cc1)c1ccccc1.
What is the InChIKey of (3R)-3-(4-cyclopentyloxyphenyl)-3-[[(3S)-3-phenylbutanoyl]amino]propanoate?
The InChIKey is HTIMCRZFXNWJNF-HTAPYJJXSA-M. The full InChI is InChI=1S/C24H29NO4/c1-17(18-7-3-2-4-8-18)15-23(26)25-22(16-24(27)28)19-11-13-21(14-12-19)29-20-9-5-6-10-20/h2-4,7-8,11-14,17,20,22H,5-6,9-10,15-16H2,1H3,(H,25,26)(H,27,28)/p-1/t17-,22+/m0/s1.
What are the key properties of (3R)-3-(4-cyclopentyloxyphenyl)-3-[[(3S)-3-phenylbutanoyl]amino]propanoate?
(3R)-3-(4-cyclopentyloxyphenyl)-3-[[(3S)-3-phenylbutanoyl]amino]propanoate has a molecular weight of 394.49 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-cyclopentyloxyphenyl)-3-[[(3S)-3-phenylbutanoyl]amino]propanoate is sourced from PubChem (CID 7320291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).