2-phenyl-3-(3-thiophen-2-ylpropanoylamino)propanoic acid

C16H17NO3S — CID 62884026

IUPAC2-phenyl-3-(3-thiophen-2-ylpropanoylamino)propanoic acid
SMILESO=C(CCc1cccs1)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H17NO3S/c18-15(9-8-13-7-4-10-21-13)17-11-14(16(19)20)12-5-2-1-3-6-12/h1-7,10,14H,8-9,11H2,(H,17,18)(H,19,20)
InChIKeyNTCDPTWSXCRLMG-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.67
Rot. Bonds7

About 2-phenyl-3-(3-thiophen-2-ylpropanoylamino)propanoic acid

2-phenyl-3-(3-thiophen-2-ylpropanoylamino)propanoic acid (PubChem CID 62884026) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-phenyl-3-(3-thiophen-2-ylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-(3-thiophen-2-ylpropanoylamino)propanoic acid
PubChem CID62884026
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name2-phenyl-3-(3-thiophen-2-ylpropanoylamino)propanoic acid
SMILESO=C(CCc1cccs1)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H17NO3S/c18-15(9-8-13-7-4-10-21-13)17-11-14(16(19)20)12-5-2-1-3-6-12/h1-7,10,14H,8-9,11H2,(H,17,18)(H,19,20)
InChIKeyNTCDPTWSXCRLMG-UHFFFAOYSA-N
XLogP2.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 62883489
2-phenyl-3-(4-phenylbutanoylamino)propanoic acid
CID 119254757
N-[2-(dimethylamino)-2-phenylethyl]-4-thiophen-2-ylbutanamide
CID 42886375
(2S)-2-hydroxy-3-(4-thiophen-2-ylbutanoylamino)propanoic acid
CID 107832922
3-(4-methylpentanoylamino)-2-phenylpropanoic acid
CID 62883511
N-[(2R)-2-(ethylamino)propyl]-3-thiophen-2-ylpropanamide
CID 120655245
2-methoxy-3-(4-thiophen-2-ylbutanoylamino)propanoic acid
CID 114144206
3-methyl-2-[(4-thiophen-2-ylbutanoylamino)methyl]butanoic acid
CID 65220323
(2R)-3-(pent-4-enoylamino)-2-phenylpropanoic acid
CID 94888525
3-(hexanoylamino)-2-phenylpropanoic acid
CID 62883847
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-thiophen-2-ylpropanamide
CID 110304194
3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]-2-phenylpropanoic acid
CID 119254469

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(3-thiophen-2-ylpropanoylamino)propanoic acid?
The IUPAC name of 2-phenyl-3-(3-thiophen-2-ylpropanoylamino)propanoic acid (CID 62884026) is 2-phenyl-3-(3-thiophen-2-ylpropanoylamino)propanoic acid.
What is the SMILES notation for 2-phenyl-3-(3-thiophen-2-ylpropanoylamino)propanoic acid?
The canonical SMILES for 2-phenyl-3-(3-thiophen-2-ylpropanoylamino)propanoic acid is O=C(CCc1cccs1)NCC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-3-(3-thiophen-2-ylpropanoylamino)propanoic acid?
The InChIKey is NTCDPTWSXCRLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-15(9-8-13-7-4-10-21-13)17-11-14(16(19)20)12-5-2-1-3-6-12/h1-7,10,14H,8-9,11H2,(H,17,18)(H,19,20).
What are the key properties of 2-phenyl-3-(3-thiophen-2-ylpropanoylamino)propanoic acid?
2-phenyl-3-(3-thiophen-2-ylpropanoylamino)propanoic acid has a molecular weight of 303.38 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(3-thiophen-2-ylpropanoylamino)propanoic acid is sourced from PubChem (CID 62884026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).