(2S)-3-[2-carboxyethyl(2-methylpropylcarbamoyl)amino]-2-hydroxypropanoic acid

C11H20N2O6 — CID 142664292

IUPAC(2S)-3-[2-carboxyethyl(2-methylpropylcarbamoyl)amino]-2-hydroxypropanoic acid
SMILESCC(C)CNC(=O)N(CCC(=O)O)C[C@H](O)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-7(2)5-12-11(19)13(4-3-9(15)16)6-8(14)10(17)18/h7-8,14H,3-6H2,1-2H3,(H,12,19)(H,15,16)(H,17,18)/t8-/m0/s1
InChIKeyRKJDVHJUYBKXOP-QMMMGPOBSA-N
MW276.29 g/mol
LogP-0.43
Rot. Bonds8

About (2S)-3-[2-carboxyethyl(2-methylpropylcarbamoyl)amino]-2-hydroxypropanoic acid

(2S)-3-[2-carboxyethyl(2-methylpropylcarbamoyl)amino]-2-hydroxypropanoic acid (PubChem CID 142664292) has the molecular formula C11H20N2O6 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2S)-3-[2-carboxyethyl(2-methylpropylcarbamoyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[2-carboxyethyl(2-methylpropylcarbamoyl)amino]-2-hydroxypropanoic acid
PubChem CID142664292
Molecular FormulaC11H20N2O6
Molecular Weight276.29 g/mol
Exact Mass276.13
IUPAC Name(2S)-3-[2-carboxyethyl(2-methylpropylcarbamoyl)amino]-2-hydroxypropanoic acid
SMILESCC(C)CNC(=O)N(CCC(=O)O)C[C@H](O)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-7(2)5-12-11(19)13(4-3-9(15)16)6-8(14)10(17)18/h7-8,14H,3-6H2,1-2H3,(H,12,19)(H,15,16)(H,17,18)/t8-/m0/s1
InChIKeyRKJDVHJUYBKXOP-QMMMGPOBSA-N
XLogP-0.43
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-3-[2-carboxyethyl(2-methylpropylcarbamoyl)amino]-2-hydroxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Carbamoylamino)-2-hydroxypropanoic acid
CID 54356605
2-Hydroxy-3-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 66164903
2-Hydroxy-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 66164904
2-Hydroxy-3-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]propanoic acid
CID 66166588
2-Hydroxy-3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 66166743
3-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66168052
3-[[2,2-Difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 106110634
3-[[2,2-Difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 107481720
3-[[2,2-Difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 107481849
2-Hydroxy-3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 107482036
(2S)-2-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 107838612
(2S)-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 107839307

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[2-carboxyethyl(2-methylpropylcarbamoyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[2-carboxyethyl(2-methylpropylcarbamoyl)amino]-2-hydroxypropanoic acid (CID 142664292) is (2S)-3-[2-carboxyethyl(2-methylpropylcarbamoyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[2-carboxyethyl(2-methylpropylcarbamoyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[2-carboxyethyl(2-methylpropylcarbamoyl)amino]-2-hydroxypropanoic acid is CC(C)CNC(=O)N(CCC(=O)O)C[C@H](O)C(=O)O.
What is the InChIKey of (2S)-3-[2-carboxyethyl(2-methylpropylcarbamoyl)amino]-2-hydroxypropanoic acid?
The InChIKey is RKJDVHJUYBKXOP-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O6/c1-7(2)5-12-11(19)13(4-3-9(15)16)6-8(14)10(17)18/h7-8,14H,3-6H2,1-2H3,(H,12,19)(H,15,16)(H,17,18)/t8-/m0/s1.
What are the key properties of (2S)-3-[2-carboxyethyl(2-methylpropylcarbamoyl)amino]-2-hydroxypropanoic acid?
(2S)-3-[2-carboxyethyl(2-methylpropylcarbamoyl)amino]-2-hydroxypropanoic acid has a molecular weight of 276.29 g/mol, XLogP of -0.43, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[2-carboxyethyl(2-methylpropylcarbamoyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 142664292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).