(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid

C10H20N2O4 — CID 107567559

IUPAC(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N(C)C(C)CO)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-5-8(9(14)15)11-10(16)12(3)7(2)6-13/h7-8,13H,4-6H2,1-3H3,(H,11,16)(H,14,15)/t7?,8-/m1/s1
InChIKeyVKIIQMGZFHYGFS-BRFYHDHCSA-N
MW232.28 g/mol
LogP0.26
Rot. Bonds6

About (2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid

(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid (PubChem CID 107567559) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid
PubChem CID107567559
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N(C)C(C)CO)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-5-8(9(14)15)11-10(16)12(3)7(2)6-13/h7-8,13H,4-6H2,1-3H3,(H,11,16)(H,14,15)/t7?,8-/m1/s1
InChIKeyVKIIQMGZFHYGFS-BRFYHDHCSA-N
XLogP0.26
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid with MolForge

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Related Compounds

2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid
CID 104553016
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid
CID 104553020
(2S)-4-hydroxy-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid
CID 107828909
(2R)-4-hydroxy-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid
CID 107828905
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
CID 104553076
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid
CID 113426163
(2R)-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pentanoic acid
CID 107566606
(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104910575
(2S)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 104553217
(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid
CID 104553103
(2S)-2-[[butan-2-yl(methyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107826100
4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid
CID 62480432

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid (CID 107567559) is (2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid is CCC[C@@H](NC(=O)N(C)C(C)CO)C(=O)O.
What is the InChIKey of (2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid?
The InChIKey is VKIIQMGZFHYGFS-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-4-5-8(9(14)15)11-10(16)12(3)7(2)6-13/h7-8,13H,4-6H2,1-3H3,(H,11,16)(H,14,15)/t7?,8-/m1/s1.
What are the key properties of (2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid?
(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 107567559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).