(2S)-3-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxypropanoic acid

C10H18N2O4 — CID 107841146

IUPAC(2S)-3-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxypropanoic acid
SMILESCCC1(NC(=O)NC[C@H](O)C(=O)O)CCC1
InChIInChI=1S/C10H18N2O4/c1-2-10(4-3-5-10)12-9(16)11-6-7(13)8(14)15/h7,13H,2-6H2,1H3,(H,14,15)(H2,11,12,16)/t7-/m0/s1
InChIKeyNBWNOAMSYHDDJU-ZETCQYMHSA-N
MW230.26 g/mol
LogP0.06
Rot. Bonds5

About (2S)-3-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxypropanoic acid

(2S)-3-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxypropanoic acid (PubChem CID 107841146) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S)-3-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxypropanoic acid
PubChem CID107841146
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2S)-3-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxypropanoic acid
SMILESCCC1(NC(=O)NC[C@H](O)C(=O)O)CCC1
InChIInChI=1S/C10H18N2O4/c1-2-10(4-3-5-10)12-9(16)11-6-7(13)8(14)15/h7,13H,2-6H2,1H3,(H,14,15)(H2,11,12,16)/t7-/m0/s1
InChIKeyNBWNOAMSYHDDJU-ZETCQYMHSA-N
XLogP0.06
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxy-3-(2-methylpropylcarbamoylamino)propanoic acid
CID 23216206
2-Hydroxy-3-[[methyl(pentyl)carbamoyl]amino]propanoic acid
CID 66164886
3-[[1-Cyclopropylethyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66164887
2-Hydroxy-3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 66164888
2-Hydroxy-3-[[methyl(pentan-3-yl)carbamoyl]amino]propanoic acid
CID 66164889
2-Hydroxy-3-[[methyl(pentan-2-yl)carbamoyl]amino]propanoic acid
CID 66164890
2-Hydroxy-3-(2-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 66164899
3-[(2,2-Dimethylcyclopropyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66164918
3-(Hexan-2-ylcarbamoylamino)-2-hydroxypropanoic acid
CID 66164924
2-Hydroxy-3-[(4-methylcyclohexyl)carbamoylamino]propanoic acid
CID 66165083
2-Hydroxy-3-(3-methylbutan-2-ylcarbamoylamino)propanoic acid
CID 66165085
2-Hydroxy-3-[[methyl(2-methylbutyl)carbamoyl]amino]propanoic acid
CID 66165090

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxypropanoic acid (CID 107841146) is (2S)-3-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxypropanoic acid is CCC1(NC(=O)NC[C@H](O)C(=O)O)CCC1.
What is the InChIKey of (2S)-3-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxypropanoic acid?
The InChIKey is NBWNOAMSYHDDJU-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-2-10(4-3-5-10)12-9(16)11-6-7(13)8(14)15/h7,13H,2-6H2,1H3,(H,14,15)(H2,11,12,16)/t7-/m0/s1.
What are the key properties of (2S)-3-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxypropanoic acid?
(2S)-3-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxypropanoic acid has a molecular weight of 230.26 g/mol, XLogP of 0.06, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 107841146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).