(2S)-2-hydroxy-3-(2-methylpentan-2-ylcarbamoylamino)propanoic acid

C10H20N2O4 — CID 107841057

IUPAC(2S)-2-hydroxy-3-(2-methylpentan-2-ylcarbamoylamino)propanoic acid
SMILESCCCC(C)(C)NC(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-5-10(2,3)12-9(16)11-6-7(13)8(14)15/h7,13H,4-6H2,1-3H3,(H,14,15)(H2,11,12,16)/t7-/m0/s1
InChIKeyFKEUSMVWKVRWNK-ZETCQYMHSA-N
MW232.28 g/mol
LogP0.31
Rot. Bonds6

About (2S)-2-hydroxy-3-(2-methylpentan-2-ylcarbamoylamino)propanoic acid

(2S)-2-hydroxy-3-(2-methylpentan-2-ylcarbamoylamino)propanoic acid (PubChem CID 107841057) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-(2-methylpentan-2-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-(2-methylpentan-2-ylcarbamoylamino)propanoic acid
PubChem CID107841057
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(2S)-2-hydroxy-3-(2-methylpentan-2-ylcarbamoylamino)propanoic acid
SMILESCCCC(C)(C)NC(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-5-10(2,3)12-9(16)11-6-7(13)8(14)15/h7,13H,4-6H2,1-3H3,(H,14,15)(H2,11,12,16)/t7-/m0/s1
InChIKeyFKEUSMVWKVRWNK-ZETCQYMHSA-N
XLogP0.31
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-(2-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 107841054
(2S)-2-hydroxy-4-(2-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 107841056
(2S)-2-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)carbamoylamino]propanoic acid
CID 107841058
3-methoxy-4-(2-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 103159952
(2S)-2-hydroxy-3-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid
CID 114264145
(2S)-4-hydroxy-2-(2-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 107829003
3-(2,2-dimethylpropanoylamino)-2-hydroxypropanoic acid
CID 66166212
2-hydroxy-3-(2-methylbutanoylamino)propanoic acid
CID 66167020
3-(butan-2-ylcarbamoylamino)-2-hydroxypropanoic acid
CID 66166107
(2S)-3-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-hydroxypropanoic acid
CID 106279144
4,4-dimethyl-2-[(2-methylbutan-2-ylcarbamoylamino)methyl]pentanoic acid
CID 107473764
4-methyl-4-(propylcarbamoylamino)pentanoic acid
CID 62043521

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-(2-methylpentan-2-ylcarbamoylamino)propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-(2-methylpentan-2-ylcarbamoylamino)propanoic acid (CID 107841057) is (2S)-2-hydroxy-3-(2-methylpentan-2-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-(2-methylpentan-2-ylcarbamoylamino)propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-(2-methylpentan-2-ylcarbamoylamino)propanoic acid is CCCC(C)(C)NC(=O)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-3-(2-methylpentan-2-ylcarbamoylamino)propanoic acid?
The InChIKey is FKEUSMVWKVRWNK-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-4-5-10(2,3)12-9(16)11-6-7(13)8(14)15/h7,13H,4-6H2,1-3H3,(H,14,15)(H2,11,12,16)/t7-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-(2-methylpentan-2-ylcarbamoylamino)propanoic acid?
(2S)-2-hydroxy-3-(2-methylpentan-2-ylcarbamoylamino)propanoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.31, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-(2-methylpentan-2-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 107841057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).