2-[[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]methyl]pentanoic acid

C15H24N2O3S — CID 79491922

IUPAC2-[[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N(C)C(C)Cc1cccs1)C(=O)O
InChIInChI=1S/C15H24N2O3S/c1-4-6-12(14(18)19)10-16-15(20)17(3)11(2)9-13-7-5-8-21-13/h5,7-8,11-12H,4,6,9-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyRNQKOUSBJITWJZ-UHFFFAOYSA-N
MW312.43 g/mol
LogP2.82
Rot. Bonds8

About 2-[[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]methyl]pentanoic acid

2-[[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]methyl]pentanoic acid (PubChem CID 79491922) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 2-[[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]methyl]pentanoic acid
PubChem CID79491922
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name2-[[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N(C)C(C)Cc1cccs1)C(=O)O
InChIInChI=1S/C15H24N2O3S/c1-4-6-12(14(18)19)10-16-15(20)17(3)11(2)9-13-7-5-8-21-13/h5,7-8,11-12H,4,6,9-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyRNQKOUSBJITWJZ-UHFFFAOYSA-N
XLogP2.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-4-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]butanoic acid
CID 103159623
2-[[2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid
CID 79488505
3,3-dimethyl-2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]butanoic acid
CID 79488507
4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid
CID 79488943
2-[(1-thiophen-2-ylpropan-2-ylcarbamoylamino)methyl]butanoic acid
CID 65226264
2-[[[methyl(pentan-2-yl)carbamoyl]amino]methyl]butanoic acid
CID 65223613
2-[[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223201
4-bromo-N-methyl-1-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrrole-2-carboxamide
CID 79491715
2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79493991
2-iodo-N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 103722067
2-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]propanoic acid
CID 63292232
3-[ethyl-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 79488513

Frequently Asked Questions

What is the IUPAC name of 2-[[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]methyl]pentanoic acid?
The IUPAC name of 2-[[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]methyl]pentanoic acid (CID 79491922) is 2-[[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]methyl]pentanoic acid is CCCC(CNC(=O)N(C)C(C)Cc1cccs1)C(=O)O.
What is the InChIKey of 2-[[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]methyl]pentanoic acid?
The InChIKey is RNQKOUSBJITWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-6-12(14(18)19)10-16-15(20)17(3)11(2)9-13-7-5-8-21-13/h5,7-8,11-12H,4,6,9-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]methyl]pentanoic acid?
2-[[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]methyl]pentanoic acid has a molecular weight of 312.43 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 79491922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).