2-hydroxy-3-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)propanoic acid

C11H16N2O4S — CID 66165511

IUPAC2-hydroxy-3-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)propanoic acid
SMILESCC(Cc1ccsc1)NC(=O)NCC(O)C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-7(4-8-2-3-18-6-8)13-11(17)12-5-9(14)10(15)16/h2-3,6-7,9,14H,4-5H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyDLRLKBYMKBSXIA-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.42
Rot. Bonds6

About 2-hydroxy-3-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)propanoic acid

2-hydroxy-3-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)propanoic acid (PubChem CID 66165511) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-hydroxy-3-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)propanoic acid
PubChem CID66165511
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-hydroxy-3-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)propanoic acid
SMILESCC(Cc1ccsc1)NC(=O)NCC(O)C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-7(4-8-2-3-18-6-8)13-11(17)12-5-9(14)10(15)16/h2-3,6-7,9,14H,4-5H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyDLRLKBYMKBSXIA-UHFFFAOYSA-N
XLogP0.42
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-4-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 107838978
2-[(1-thiophen-3-ylpropan-2-ylcarbamoylamino)methyl]butanoic acid
CID 65223500
2-[[2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 61475979
(2R)-3,3-dimethyl-2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 103927769
4-hydroxy-2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 61475780
(2S)-2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)pentanedioic acid
CID 61475692
(2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 61474644
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 94755950
2-methyl-3-(1-phenylpropan-2-ylcarbamoylamino)propanoic acid
CID 63012316
2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 63114746
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
CID 96518518
N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide
CID 61473728

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)propanoic acid?
The IUPAC name of 2-hydroxy-3-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)propanoic acid (CID 66165511) is 2-hydroxy-3-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)propanoic acid is CC(Cc1ccsc1)NC(=O)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)propanoic acid?
The InChIKey is DLRLKBYMKBSXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-7(4-8-2-3-18-6-8)13-11(17)12-5-9(14)10(15)16/h2-3,6-7,9,14H,4-5H2,1H3,(H,15,16)(H2,12,13,17).
What are the key properties of 2-hydroxy-3-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)propanoic acid?
2-hydroxy-3-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)propanoic acid has a molecular weight of 272.33 g/mol, XLogP of 0.42, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 66165511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).