(2S)-3-methyl-2-[[methyl(2-methylbutyl)carbamoyl]amino]pentanoic acid

C13H26N2O3 — CID 61199113

IUPAC(2S)-3-methyl-2-[[methyl(2-methylbutyl)carbamoyl]amino]pentanoic acid
SMILESCCC(C)CN(C)C(=O)N[C@H](C(=O)O)C(C)CC
InChIInChI=1S/C13H26N2O3/c1-6-9(3)8-15(5)13(18)14-11(12(16)17)10(4)7-2/h9-11H,6-8H2,1-5H3,(H,14,18)(H,16,17)/t9?,10?,11-/m0/s1
InChIKeyLVGNMDKAOSMAOE-ILDUYXDCSA-N
MW258.36 g/mol
LogP2.17
Rot. Bonds7

About (2S)-3-methyl-2-[[methyl(2-methylbutyl)carbamoyl]amino]pentanoic acid

(2S)-3-methyl-2-[[methyl(2-methylbutyl)carbamoyl]amino]pentanoic acid (PubChem CID 61199113) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2S)-3-methyl-2-[[methyl(2-methylbutyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-[[methyl(2-methylbutyl)carbamoyl]amino]pentanoic acid
PubChem CID61199113
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(2S)-3-methyl-2-[[methyl(2-methylbutyl)carbamoyl]amino]pentanoic acid
SMILESCCC(C)CN(C)C(=O)N[C@H](C(=O)O)C(C)CC
InChIInChI=1S/C13H26N2O3/c1-6-9(3)8-15(5)13(18)14-11(12(16)17)10(4)7-2/h9-11H,6-8H2,1-5H3,(H,14,18)(H,16,17)/t9?,10?,11-/m0/s1
InChIKeyLVGNMDKAOSMAOE-ILDUYXDCSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-3-methyl-2-[[methyl(2-methylbutyl)carbamoyl]amino]pentanoic 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

(2S)-3-methyl-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid
CID 61198161
2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61196445
(2S,3S)-2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-3-methylpentanoic acid
CID 55001754
(2S)-3-methyl-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]pentanoic acid
CID 79864611
(2S,3S)-3-methyl-2-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]pentanoic acid
CID 61203270
(2S)-2-[bis(2-hydroxyethyl)carbamoylamino]-3-methylpentanoic acid
CID 61234317
(2S,3S)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 62854240
(2S,3S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-methylpentanoic acid
CID 62923883
(2S)-2-(dibutylcarbamoylamino)-3-methylpentanoic acid
CID 61185893
2-[[methyl(2-methylbutyl)carbamoyl]amino]hexanoic acid
CID 61198544
(2S)-2-[[butan-2-yl(ethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61197208
(2S,3S)-2-[[butan-2-yl(ethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61199474

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[[methyl(2-methylbutyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of (2S)-3-methyl-2-[[methyl(2-methylbutyl)carbamoyl]amino]pentanoic acid (CID 61199113) is (2S)-3-methyl-2-[[methyl(2-methylbutyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-[[methyl(2-methylbutyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for (2S)-3-methyl-2-[[methyl(2-methylbutyl)carbamoyl]amino]pentanoic acid is CCC(C)CN(C)C(=O)N[C@H](C(=O)O)C(C)CC.
What is the InChIKey of (2S)-3-methyl-2-[[methyl(2-methylbutyl)carbamoyl]amino]pentanoic acid?
The InChIKey is LVGNMDKAOSMAOE-ILDUYXDCSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-6-9(3)8-15(5)13(18)14-11(12(16)17)10(4)7-2/h9-11H,6-8H2,1-5H3,(H,14,18)(H,16,17)/t9?,10?,11-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[[methyl(2-methylbutyl)carbamoyl]amino]pentanoic acid?
(2S)-3-methyl-2-[[methyl(2-methylbutyl)carbamoyl]amino]pentanoic acid has a molecular weight of 258.36 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[[methyl(2-methylbutyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 61199113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).