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

C13H26N2O3 — CID 107567246

IUPAC(2S)-2-[[ethyl(2-methylbutyl)carbamoyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)N(CC)CC(C)CC)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-5-8-11(12(16)17)14-13(18)15(7-3)9-10(4)6-2/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17)/t10?,11-/m0/s1
InChIKeyUBRDWHCTOFDOIU-DTIOYNMSSA-N
MW258.36 g/mol
LogP2.32
Rot. Bonds8

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

(2S)-2-[[ethyl(2-methylbutyl)carbamoyl]amino]pentanoic acid (PubChem CID 107567246) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2S)-2-[[ethyl(2-methylbutyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[ethyl(2-methylbutyl)carbamoyl]amino]pentanoic acid
PubChem CID107567246
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(2S)-2-[[ethyl(2-methylbutyl)carbamoyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)N(CC)CC(C)CC)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-5-8-11(12(16)17)14-13(18)15(7-3)9-10(4)6-2/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17)/t10?,11-/m0/s1
InChIKeyUBRDWHCTOFDOIU-DTIOYNMSSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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

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Related Compounds

(2S)-4-amino-2-[[ethyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid
CID 79470692
(2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid
CID 107565990
2-[[methyl(2-methylbutyl)carbamoyl]amino]hexanoic acid
CID 61198544
2-[[butan-2-yl(ethyl)carbamoyl]amino]hexanoic acid
CID 61199662
2-[[2-cyanoethyl(ethyl)carbamoyl]amino]pentanoic acid
CID 54988162
(2R)-2-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976291
2-(diethylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 61186777
2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]pentanoic acid
CID 79491051
2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61437733
(2R)-2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]pentanoic acid
CID 107567865
2-[[butan-2-yl(ethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 61197578
(2S)-2-[[ethyl(propyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 61195653

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[ethyl(2-methylbutyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-[[ethyl(2-methylbutyl)carbamoyl]amino]pentanoic acid (CID 107567246) is (2S)-2-[[ethyl(2-methylbutyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[[ethyl(2-methylbutyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-[[ethyl(2-methylbutyl)carbamoyl]amino]pentanoic acid is CCC[C@H](NC(=O)N(CC)CC(C)CC)C(=O)O.
What is the InChIKey of (2S)-2-[[ethyl(2-methylbutyl)carbamoyl]amino]pentanoic acid?
The InChIKey is UBRDWHCTOFDOIU-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-8-11(12(16)17)14-13(18)15(7-3)9-10(4)6-2/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17)/t10?,11-/m0/s1.
What are the key properties of (2S)-2-[[ethyl(2-methylbutyl)carbamoyl]amino]pentanoic acid?
(2S)-2-[[ethyl(2-methylbutyl)carbamoyl]amino]pentanoic acid has a molecular weight of 258.36 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[ethyl(2-methylbutyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 107567246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).