2-[formyl(propan-2-yl)amino]-2-(5-methylthiophen-2-yl)acetic acid

C11H15NO3S — CID 63705097

IUPAC2-[formyl(propan-2-yl)amino]-2-(5-methylthiophen-2-yl)acetic acid
SMILESCc1ccc(C(C(=O)O)N(C=O)C(C)C)s1
InChIInChI=1S/C11H15NO3S/c1-7(2)12(6-13)10(11(14)15)9-5-4-8(3)16-9/h4-7,10H,1-3H3,(H,14,15)
InChIKeyPMDHQJBEBVJOPN-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.05
Rot. Bonds5

About 2-[formyl(propan-2-yl)amino]-2-(5-methylthiophen-2-yl)acetic acid

2-[formyl(propan-2-yl)amino]-2-(5-methylthiophen-2-yl)acetic acid (PubChem CID 63705097) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-[formyl(propan-2-yl)amino]-2-(5-methylthiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-[formyl(propan-2-yl)amino]-2-(5-methylthiophen-2-yl)acetic acid
PubChem CID63705097
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name2-[formyl(propan-2-yl)amino]-2-(5-methylthiophen-2-yl)acetic acid
SMILESCc1ccc(C(C(=O)O)N(C=O)C(C)C)s1
InChIInChI=1S/C11H15NO3S/c1-7(2)12(6-13)10(11(14)15)9-5-4-8(3)16-9/h4-7,10H,1-3H3,(H,14,15)
InChIKeyPMDHQJBEBVJOPN-UHFFFAOYSA-N
XLogP2.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromothiophen-2-yl)-2-[formyl(propan-2-yl)amino]acetic acid
CID 63702744
2,2-bis(5-methylthiophen-2-yl)acetic acid
CID 6611979
2-(3,5-dichlorophenyl)-2-[formyl(propan-2-yl)amino]acetic acid
CID 55234208
2-(2-bromophenyl)-2-[formyl(propan-2-yl)amino]acetic acid
CID 63701963
(2S)-2-[formyl(propan-2-yl)amino]propanoic acid
CID 139496454
(2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid
CID 54953706
2-(5-methylthiophen-2-yl)-2-(propan-2-ylamino)acetamide
CID 61347357
4-[1-(5-methylthiophen-2-yl)ethylamino]-4-oxobut-2-enoic acid
CID 61473130
2-[1-(5-methylthiophen-2-yl)ethylcarbamoyl-propan-2-ylamino]acetic acid
CID 61475694
(2S)-3-methyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]butanoic acid
CID 61475940
2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 60962460
2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol
CID 61099304

Frequently Asked Questions

What is the IUPAC name of 2-[formyl(propan-2-yl)amino]-2-(5-methylthiophen-2-yl)acetic acid?
The IUPAC name of 2-[formyl(propan-2-yl)amino]-2-(5-methylthiophen-2-yl)acetic acid (CID 63705097) is 2-[formyl(propan-2-yl)amino]-2-(5-methylthiophen-2-yl)acetic acid.
What is the SMILES notation for 2-[formyl(propan-2-yl)amino]-2-(5-methylthiophen-2-yl)acetic acid?
The canonical SMILES for 2-[formyl(propan-2-yl)amino]-2-(5-methylthiophen-2-yl)acetic acid is Cc1ccc(C(C(=O)O)N(C=O)C(C)C)s1.
What is the InChIKey of 2-[formyl(propan-2-yl)amino]-2-(5-methylthiophen-2-yl)acetic acid?
The InChIKey is PMDHQJBEBVJOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-7(2)12(6-13)10(11(14)15)9-5-4-8(3)16-9/h4-7,10H,1-3H3,(H,14,15).
What are the key properties of 2-[formyl(propan-2-yl)amino]-2-(5-methylthiophen-2-yl)acetic acid?
2-[formyl(propan-2-yl)amino]-2-(5-methylthiophen-2-yl)acetic acid has a molecular weight of 241.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl(propan-2-yl)amino]-2-(5-methylthiophen-2-yl)acetic acid is sourced from PubChem (CID 63705097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).