(2S)-2-hydroxy-3-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid

C12H18N2O4S — CID 107838915

IUPAC(2S)-2-hydroxy-3-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
SMILESCC(C)N(Cc1cccs1)C(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-8(2)14(7-9-4-3-5-19-9)12(18)13-6-10(15)11(16)17/h3-5,8,10,15H,6-7H2,1-2H3,(H,13,18)(H,16,17)/t10-/m0/s1
InChIKeyZIZBGDGXDCTZPP-JTQLQIEISA-N
MW286.35 g/mol
LogP1.11
Rot. Bonds6

About (2S)-2-hydroxy-3-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid

(2S)-2-hydroxy-3-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid (PubChem CID 107838915) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
PubChem CID107838915
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name(2S)-2-hydroxy-3-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
SMILESCC(C)N(Cc1cccs1)C(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-8(2)14(7-9-4-3-5-19-9)12(18)13-6-10(15)11(16)17/h3-5,8,10,15H,6-7H2,1-2H3,(H,13,18)(H,16,17)/t10-/m0/s1
InChIKeyZIZBGDGXDCTZPP-JTQLQIEISA-N
XLogP1.11
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 81067110
2-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 54946897
(2S)-2-hydroxy-3-(4-thiophen-2-ylbutanoylamino)propanoic acid
CID 107832922
5-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]hexanoic acid
CID 82847767
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
2-methoxy-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 112686946
2-amino-2-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 79814434
6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61455935
2-[1-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842228
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289696
3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid
CID 62965787

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid (CID 107838915) is (2S)-2-hydroxy-3-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid is CC(C)N(Cc1cccs1)C(=O)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-3-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid?
The InChIKey is ZIZBGDGXDCTZPP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-8(2)14(7-9-4-3-5-19-9)12(18)13-6-10(15)11(16)17/h3-5,8,10,15H,6-7H2,1-2H3,(H,13,18)(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid?
(2S)-2-hydroxy-3-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid has a molecular weight of 286.35 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 107838915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).