(2R)-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pentanoic acid

C13H26N2O3 — CID 107566606

IUPAC(2R)-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N(C)C(C)CC(C)C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-6-7-11(12(16)17)14-13(18)15(5)10(4)8-9(2)3/h9-11H,6-8H2,1-5H3,(H,14,18)(H,16,17)/t10?,11-/m1/s1
InChIKeyRWDIHNCOVXRNJO-RRKGBCIJSA-N
MW258.36 g/mol
LogP2.32
Rot. Bonds7

About (2R)-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pentanoic acid

(2R)-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pentanoic acid (PubChem CID 107566606) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2R)-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pentanoic acid
PubChem CID107566606
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(2R)-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N(C)C(C)CC(C)C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-6-7-11(12(16)17)14-13(18)15(5)10(4)8-9(2)3/h9-11H,6-8H2,1-5H3,(H,14,18)(H,16,17)/t10?,11-/m1/s1
InChIKeyRWDIHNCOVXRNJO-RRKGBCIJSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pentanoic acid with MolForge

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Related Compounds

(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid
CID 107567559
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid
CID 104553016
4-amino-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 55000358
(2S)-4-amino-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 55231129
4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid
CID 62480432
(2S)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 104553217
3-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]propanoic acid
CID 81083904
4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid
CID 61181963
(2R)-3-methyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid
CID 79009702
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid
CID 104553020
(2S)-2-[[butan-2-yl(methyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107826100
(2S)-4-hydroxy-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid
CID 107828909

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pentanoic acid (CID 107566606) is (2R)-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pentanoic acid is CCC[C@@H](NC(=O)N(C)C(C)CC(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pentanoic acid?
The InChIKey is RWDIHNCOVXRNJO-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-6-7-11(12(16)17)14-13(18)15(5)10(4)8-9(2)3/h9-11H,6-8H2,1-5H3,(H,14,18)(H,16,17)/t10?,11-/m1/s1.
What are the key properties of (2R)-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pentanoic acid?
(2R)-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pentanoic acid has a molecular weight of 258.36 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 107566606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).