3-[[(2-amino-4-methylpentanoyl)amino]methyl]-5-methylheptanoic acid

C15H30N2O3 — CID 11185289

IUPAC3-[[(2-amino-4-methylpentanoyl)amino]methyl]-5-methylheptanoic acid
SMILESCCC(C)CC(CNC(=O)C(N)CC(C)C)CC(=O)O
InChIInChI=1S/C15H30N2O3/c1-5-11(4)7-12(8-14(18)19)9-17-15(20)13(16)6-10(2)3/h10-13H,5-9,16H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyAKVORPPMBDNUCR-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.00
Rot. Bonds10

About 3-[[(2-amino-4-methylpentanoyl)amino]methyl]-5-methylheptanoic acid

3-[[(2-amino-4-methylpentanoyl)amino]methyl]-5-methylheptanoic acid (PubChem CID 11185289) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[[(2-amino-4-methylpentanoyl)amino]methyl]-5-methylheptanoic acid.

Molecular Properties

Compound Name3-[[(2-amino-4-methylpentanoyl)amino]methyl]-5-methylheptanoic acid
PubChem CID11185289
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name3-[[(2-amino-4-methylpentanoyl)amino]methyl]-5-methylheptanoic acid
SMILESCCC(C)CC(CNC(=O)C(N)CC(C)C)CC(=O)O
InChIInChI=1S/C15H30N2O3/c1-5-11(4)7-12(8-14(18)19)9-17-15(20)13(16)6-10(2)3/h10-13H,5-9,16H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyAKVORPPMBDNUCR-UHFFFAOYSA-N
XLogP2.00
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]-5-methylhexanoic acid
CID 104903629
3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-5-methylnonanoic acid
CID 87608945
3-(acetamidomethyl)-5-methylheptanoic acid
CID 11333384
5-methyl-3-[(2-methylbutanoylamino)methyl]hexanoic acid
CID 65495173
(3R)-3-[[[(2R,3S)-2-amino-3-methylpentanoyl]amino]methyl]-5-methylhexanoic acid
CID 124678536
(2R)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide
CID 104903746
(3S)-3-[[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]methyl]-5-methylhexanoic acid
CID 65494329
(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide;hydrochloride
CID 119790717
(3S)-3-[[(2-amino-4-methylsulfonylbutanoyl)amino]methyl]-5-methylhexanoic acid
CID 65494336
5-methyl-3-[(2-methylpropanoylamino)methyl]hexanoic acid
CID 65492879
(3S)-3-[[(2-amino-3-ethoxy-3-oxopropanoyl)amino]methyl]-5-methylhexanoic acid
CID 104877611
(2R)-2-amino-N-(2-hydroxybutyl)-4-methylpentanamide
CID 104904032

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-amino-4-methylpentanoyl)amino]methyl]-5-methylheptanoic acid?
The IUPAC name of 3-[[(2-amino-4-methylpentanoyl)amino]methyl]-5-methylheptanoic acid (CID 11185289) is 3-[[(2-amino-4-methylpentanoyl)amino]methyl]-5-methylheptanoic acid.
What is the SMILES notation for 3-[[(2-amino-4-methylpentanoyl)amino]methyl]-5-methylheptanoic acid?
The canonical SMILES for 3-[[(2-amino-4-methylpentanoyl)amino]methyl]-5-methylheptanoic acid is CCC(C)CC(CNC(=O)C(N)CC(C)C)CC(=O)O.
What is the InChIKey of 3-[[(2-amino-4-methylpentanoyl)amino]methyl]-5-methylheptanoic acid?
The InChIKey is AKVORPPMBDNUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-11(4)7-12(8-14(18)19)9-17-15(20)13(16)6-10(2)3/h10-13H,5-9,16H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 3-[[(2-amino-4-methylpentanoyl)amino]methyl]-5-methylheptanoic acid?
3-[[(2-amino-4-methylpentanoyl)amino]methyl]-5-methylheptanoic acid has a molecular weight of 286.42 g/mol, XLogP of 2.00, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-amino-4-methylpentanoyl)amino]methyl]-5-methylheptanoic acid is sourced from PubChem (CID 11185289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).