(2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid

C11H16N2O3S — CID 54953706

IUPAC(2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid
SMILESCc1ccc(C(C)NC(=O)N[C@@H](C)C(=O)O)s1
InChIInChI=1S/C11H16N2O3S/c1-6-4-5-9(17-6)7(2)12-11(16)13-8(3)10(14)15/h4-5,7-8H,1-3H3,(H,14,15)(H2,12,13,16)/t7?,8-/m0/s1
InChIKeyUUZQVVDLKVEMQI-MQWKRIRWSA-N
MW256.33 g/mol
LogP1.89
Rot. Bonds4

About (2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid

(2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid (PubChem CID 54953706) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is (2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid
PubChem CID54953706
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name(2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid
SMILESCc1ccc(C(C)NC(=O)N[C@@H](C)C(=O)O)s1
InChIInChI=1S/C11H16N2O3S/c1-6-4-5-9(17-6)7(2)12-11(16)13-8(3)10(14)15/h4-5,7-8H,1-3H3,(H,14,15)(H2,12,13,16)/t7?,8-/m0/s1
InChIKeyUUZQVVDLKVEMQI-MQWKRIRWSA-N
XLogP1.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-methyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]butanoic acid
CID 61475940
(2S)-3,3-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]butanoic acid
CID 61476029
(2S,3S)-3-methyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]pentanoic acid
CID 61475897
3-methyl-2-[[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 65223596
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
2-hydroxy-4-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]butanoic acid
CID 107838979
2,2-bis(5-methylthiophen-2-yl)acetic acid
CID 6611979
2-[[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 65223595
4-[1-(5-methylthiophen-2-yl)ethylamino]-4-oxobut-2-enoic acid
CID 61473130
2,2-dimethyl-4-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 65300338
2-[1-(5-methylthiophen-2-yl)ethylcarbamoyl-propan-2-ylamino]acetic acid
CID 61475694
2-cyclopropyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid
CID 61475527

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid?
The IUPAC name of (2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid (CID 54953706) is (2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for (2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid is Cc1ccc(C(C)NC(=O)N[C@@H](C)C(=O)O)s1.
What is the InChIKey of (2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid?
The InChIKey is UUZQVVDLKVEMQI-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-6-4-5-9(17-6)7(2)12-11(16)13-8(3)10(14)15/h4-5,7-8H,1-3H3,(H,14,15)(H2,12,13,16)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid?
(2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid has a molecular weight of 256.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 54953706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).