3-[1-carboxyethylcarbamoyl(2-methylpropyl)amino]-2-hydroxypropanoic acid

C11H20N2O6 — CID 142664231

IUPAC3-[1-carboxyethylcarbamoyl(2-methylpropyl)amino]-2-hydroxypropanoic acid
SMILESCC(C)CN(CC(O)C(=O)O)C(=O)NC(C)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-6(2)4-13(5-8(14)10(17)18)11(19)12-7(3)9(15)16/h6-8,14H,4-5H2,1-3H3,(H,12,19)(H,15,16)(H,17,18)
InChIKeyNBEPVQARQWWMEY-UHFFFAOYSA-N
MW276.29 g/mol
LogP-0.43
Rot. Bonds7

About 3-[1-carboxyethylcarbamoyl(2-methylpropyl)amino]-2-hydroxypropanoic acid

3-[1-carboxyethylcarbamoyl(2-methylpropyl)amino]-2-hydroxypropanoic acid (PubChem CID 142664231) has the molecular formula C11H20N2O6 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-[1-carboxyethylcarbamoyl(2-methylpropyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[1-carboxyethylcarbamoyl(2-methylpropyl)amino]-2-hydroxypropanoic acid
PubChem CID142664231
Molecular FormulaC11H20N2O6
Molecular Weight276.29 g/mol
Exact Mass276.13
IUPAC Name3-[1-carboxyethylcarbamoyl(2-methylpropyl)amino]-2-hydroxypropanoic acid
SMILESCC(C)CN(CC(O)C(=O)O)C(=O)NC(C)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-6(2)4-13(5-8(14)10(17)18)11(19)12-7(3)9(15)16/h6-8,14H,4-5H2,1-3H3,(H,12,19)(H,15,16)(H,17,18)
InChIKeyNBEPVQARQWWMEY-UHFFFAOYSA-N
XLogP-0.43
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
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

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Related Compounds

2-Hydroxy-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 66164904
(2S)-2-hydroxy-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 107839321
2-[(3,4-Dihydroxypyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 18917730
(2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 53998453
Carbamoyl-(2-carboxy-2-hydroxyethyl)-(carboxymethyl)-(2-methylpropyl)azanium
CID 54346614
Ethyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl-(2-methylpropyl)amino]-2-hydroxypropanoate
CID 54457555
(2S)-2-[[(3-ethoxy-2-hydroxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid
CID 88239081
(2S)-2-[[[(2S)-3-ethoxy-2-hydroxy-3-oxopropyl]-(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid
CID 88239085
(2S)-2-[[(3-ethoxy-2-hydroxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]amino]butanedioic acid
CID 88239117
(2S)-2-[[[(2S)-3-ethoxy-2-hydroxy-3-oxopropyl]-(2-methylpropyl)carbamoyl]amino]butanedioic acid
CID 88239119
(2S)-2-[[(3-ethoxy-2-hydroxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 88239150
(2S)-2-[[[(2S)-3-ethoxy-2-hydroxy-3-oxopropyl]-(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 88239152

Frequently Asked Questions

What is the IUPAC name of 3-[1-carboxyethylcarbamoyl(2-methylpropyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[1-carboxyethylcarbamoyl(2-methylpropyl)amino]-2-hydroxypropanoic acid (CID 142664231) is 3-[1-carboxyethylcarbamoyl(2-methylpropyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[1-carboxyethylcarbamoyl(2-methylpropyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[1-carboxyethylcarbamoyl(2-methylpropyl)amino]-2-hydroxypropanoic acid is CC(C)CN(CC(O)C(=O)O)C(=O)NC(C)C(=O)O.
What is the InChIKey of 3-[1-carboxyethylcarbamoyl(2-methylpropyl)amino]-2-hydroxypropanoic acid?
The InChIKey is NBEPVQARQWWMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6/c1-6(2)4-13(5-8(14)10(17)18)11(19)12-7(3)9(15)16/h6-8,14H,4-5H2,1-3H3,(H,12,19)(H,15,16)(H,17,18).
What are the key properties of 3-[1-carboxyethylcarbamoyl(2-methylpropyl)amino]-2-hydroxypropanoic acid?
3-[1-carboxyethylcarbamoyl(2-methylpropyl)amino]-2-hydroxypropanoic acid has a molecular weight of 276.29 g/mol, XLogP of -0.43, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-carboxyethylcarbamoyl(2-methylpropyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 142664231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).