[(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate

C14H21NO3S — CID 95572910

IUPAC[(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate
SMILESCC(C)C[C@H](C)OC(=O)[C@@H](C)NC(=O)c1cccs1
InChIInChI=1S/C14H21NO3S/c1-9(2)8-10(3)18-14(17)11(4)15-13(16)12-6-5-7-19-12/h5-7,9-11H,8H2,1-4H3,(H,15,16)/t10-,11+/m0/s1
InChIKeyNQVJHPJZOGJKFO-WDEREUQCSA-N
MW283.39 g/mol
LogP2.84
Rot. Bonds6

About [(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate

[(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate (PubChem CID 95572910) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is [(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate
PubChem CID95572910
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name[(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate
SMILESCC(C)C[C@H](C)OC(=O)[C@@H](C)NC(=O)c1cccs1
InChIInChI=1S/C14H21NO3S/c1-9(2)8-10(3)18-14(17)11(4)15-13(16)12-6-5-7-19-12/h5-7,9-11H,8H2,1-4H3,(H,15,16)/t10-,11+/m0/s1
InChIKeyNQVJHPJZOGJKFO-WDEREUQCSA-N
XLogP2.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate with MolForge

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Related Compounds

methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate
CID 97003900
prop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate
CID 97003904
N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 119585489
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
(2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid
CID 42150236
ethyl (2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoate
CID 125041848
nonyl 2-(thiophene-2-carbonylamino)propanoate
CID 6422194
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-carboxamide
CID 93486739
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
N-(1-aminooxypropan-2-yl)thiophene-2-carboxamide
CID 82040114
N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide
CID 51305133

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of [(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate (CID 95572910) is [(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for [(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for [(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate is CC(C)C[C@H](C)OC(=O)[C@@H](C)NC(=O)c1cccs1.
What is the InChIKey of [(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate?
The InChIKey is NQVJHPJZOGJKFO-WDEREUQCSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-9(2)8-10(3)18-14(17)11(4)15-13(16)12-6-5-7-19-12/h5-7,9-11H,8H2,1-4H3,(H,15,16)/t10-,11+/m0/s1.
What are the key properties of [(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate?
[(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate has a molecular weight of 283.39 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 95572910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).