5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid

C13H26N2O3 — CID 82848330

IUPAC5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid
SMILESCC(C)CCN(C)C(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C13H26N2O3/c1-10(2)8-9-15(4)13(18)14-11(3)6-5-7-12(16)17/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyPOGHOFKBPUDVLM-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.32
Rot. Bonds8

About 5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid

5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid (PubChem CID 82848330) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid
PubChem CID82848330
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid
SMILESCC(C)CCN(C)C(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C13H26N2O3/c1-10(2)8-9-15(4)13(18)14-11(3)6-5-7-12(16)17/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyPOGHOFKBPUDVLM-UHFFFAOYSA-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

5-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]hexanoic acid
CID 112662505
5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid
CID 82848023
(2S)-2-[[methyl(3-methylbutyl)carbamoyl]amino]pentanedioic acid
CID 61429121
3-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid
CID 61478809
5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanoic acid
CID 106917295
3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid
CID 61181867
5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid
CID 82848349
5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]hexanoic acid
CID 105419701
5-[[cyclopropyl(methyl)carbamoyl]amino]hexanoic acid
CID 82844825
3-[1-methoxypropan-2-ylcarbamoyl(methyl)amino]propanoic acid
CID 61181719
4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81057575
4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-methylamino]butanoic acid
CID 61479113

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid?
The IUPAC name of 5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid (CID 82848330) is 5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid is CC(C)CCN(C)C(=O)NC(C)CCCC(=O)O.
What is the InChIKey of 5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid?
The InChIKey is POGHOFKBPUDVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(2)8-9-15(4)13(18)14-11(3)6-5-7-12(16)17/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid?
5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic 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 5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 82848330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).