(3S)-3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoate

C21H23N2O4- — CID 7320301

IUPAC(3S)-3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoate
SMILESO=C([O-])C[C@H](NC(=O)Nc1ccccc1)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C21H24N2O4/c24-20(25)14-19(23-21(26)22-16-6-2-1-3-7-16)15-10-12-18(13-11-15)27-17-8-4-5-9-17/h1-3,6-7,10-13,17,19H,4-5,8-9,14H2,(H,24,25)(H2,22,23,26)/p-1/t19-/m0/s1
InChIKeyYWWULYYWWBKCME-IBGZPJMESA-M
MW367.43 g/mol
LogP3.01
Rot. Bonds7

About (3S)-3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoate

(3S)-3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoate (PubChem CID 7320301) has the molecular formula C21H23N2O4- and a molecular weight of 367.43 g/mol. Its IUPAC name is (3S)-3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoate.

Molecular Properties

Compound Name(3S)-3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoate
PubChem CID7320301
Molecular FormulaC21H23N2O4-
Molecular Weight367.43 g/mol
Exact Mass367.17
IUPAC Name(3S)-3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoate
SMILESO=C([O-])C[C@H](NC(=O)Nc1ccccc1)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C21H24N2O4/c24-20(25)14-19(23-21(26)22-16-6-2-1-3-7-16)15-10-12-18(13-11-15)27-17-8-4-5-9-17/h1-3,6-7,10-13,17,19H,4-5,8-9,14H2,(H,24,25)(H2,22,23,26)/p-1/t19-/m0/s1
InChIKeyYWWULYYWWBKCME-IBGZPJMESA-M
XLogP3.01
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(4-cyclopentyloxyphenyl)-3-[[(3S)-3-phenylbutanoyl]amino]propanoate
CID 7320291
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 72860951
3-(4-cyclopentyloxyphenyl)-3-(2-phenoxypropanoylamino)propanoic acid
CID 4917671
(3R)-3-(4-cyclopentyloxyphenyl)-3-[(3-methyl-2-nitrobenzoyl)amino]propanoate
CID 7057816
2-(4-cyclopentyloxyanilino)-N-phenylacetamide
CID 39998941
(3R)-3-(cyclohexanecarbonylamino)-3-phenylpropanoate
CID 8022396
(3R)-3-amino-3-(4-cyclopentyloxyphenyl)propanoic acid
CID 1382002
3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 16772233
2-(4-cyclopentyloxyanilino)-N-phenylpropanamide
CID 42950148
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea
CID 92685488
1-(4-cyclopentyloxyphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 110894513

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoate?
The IUPAC name of (3S)-3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoate (CID 7320301) is (3S)-3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoate.
What is the SMILES notation for (3S)-3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoate?
The canonical SMILES for (3S)-3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoate is O=C([O-])C[C@H](NC(=O)Nc1ccccc1)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of (3S)-3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoate?
The InChIKey is YWWULYYWWBKCME-IBGZPJMESA-M. The full InChI is InChI=1S/C21H24N2O4/c24-20(25)14-19(23-21(26)22-16-6-2-1-3-7-16)15-10-12-18(13-11-15)27-17-8-4-5-9-17/h1-3,6-7,10-13,17,19H,4-5,8-9,14H2,(H,24,25)(H2,22,23,26)/p-1/t19-/m0/s1.
What are the key properties of (3S)-3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoate?
(3S)-3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoate has a molecular weight of 367.43 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoate is sourced from PubChem (CID 7320301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).