N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]thiophene-3-carboxamide

C9H12N2O3S — CID 97062302

IUPACN-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]thiophene-3-carboxamide
SMILESCOC[C@@H](NC(=O)c1ccsc1)C(N)=O
InChIInChI=1S/C9H12N2O3S/c1-14-4-7(8(10)12)11-9(13)6-2-3-15-5-6/h2-3,5,7H,4H2,1H3,(H2,10,12)(H,11,13)/t7-/m1/s1
InChIKeyZMCOGELDMUAHPE-SSDOTTSWSA-N
MW228.27 g/mol
LogP-0.02
Rot. Bonds5

About N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]thiophene-3-carboxamide

N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]thiophene-3-carboxamide (PubChem CID 97062302) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]thiophene-3-carboxamide
PubChem CID97062302
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC NameN-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]thiophene-3-carboxamide
SMILESCOC[C@@H](NC(=O)c1ccsc1)C(N)=O
InChIInChI=1S/C9H12N2O3S/c1-14-4-7(8(10)12)11-9(13)6-2-3-15-5-6/h2-3,5,7H,4H2,1H3,(H2,10,12)(H,11,13)/t7-/m1/s1
InChIKeyZMCOGELDMUAHPE-SSDOTTSWSA-N
XLogP-0.02
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-2-(thiophene-3-carbonylamino)pentanoate
CID 43406132
3-methoxy-2-(thiophen-3-ylmethylamino)propanamide
CID 115774705
N-(2-chloro-3-methoxypropyl)thiophene-3-carboxamide
CID 114298911
3-sulfanyl-2-(thiophene-3-carbonylamino)propanoic acid
CID 16777992
4-methyl-2-(thiophene-3-carbonylamino)pentanoic acid
CID 16775253
(2S)-2-(thiophene-3-carbonylamino)pentanoic acid
CID 107564268
3-methoxy-2-(thiophen-3-ylamino)propanoic acid
CID 103255779
4-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid
CID 61244362
2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate
CID 86913899
N-(5-methylhexan-2-yl)thiophene-3-carboxamide
CID 134035797
N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 18161073
4-phenyl-2-(thiophene-3-carbonylamino)butanoic acid
CID 114916656

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]thiophene-3-carboxamide?
The IUPAC name of N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]thiophene-3-carboxamide (CID 97062302) is N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]thiophene-3-carboxamide is COC[C@@H](NC(=O)c1ccsc1)C(N)=O.
What is the InChIKey of N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]thiophene-3-carboxamide?
The InChIKey is ZMCOGELDMUAHPE-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-14-4-7(8(10)12)11-9(13)6-2-3-15-5-6/h2-3,5,7H,4H2,1H3,(H2,10,12)(H,11,13)/t7-/m1/s1.
What are the key properties of N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]thiophene-3-carboxamide?
N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]thiophene-3-carboxamide has a molecular weight of 228.27 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 97062302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).