3-amino-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid

C10H20N2O3 — CID 64894369

IUPAC3-amino-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid
SMILESCC(C)CCN(C)C(=O)C(N)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(2)4-5-12(3)10(15)8(11)6-9(13)14/h7-8H,4-6,11H2,1-3H3,(H,13,14)
InChIKeyHEIGUFHYXGEZRG-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.29
Rot. Bonds6

About 3-amino-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid

3-amino-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid (PubChem CID 64894369) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-amino-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid
PubChem CID64894369
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-amino-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid
SMILESCC(C)CCN(C)C(=O)C(N)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(2)4-5-12(3)10(15)8(11)6-9(13)14/h7-8H,4-6,11H2,1-3H3,(H,13,14)
InChIKeyHEIGUFHYXGEZRG-UHFFFAOYSA-N
XLogP0.29
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Aspartylleucine
CID 332962
Val-Asp
CID 7009608
(S)-2-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylamino)-propionylamino]-succinic acid
CID 44301469
Asp-Leu-Gly
CID 118736097
(S)-3-amino-4-oxo-4-(pyrrolidin-1-yl)butanoic acid
CID 11206225
(S)-3-((S)-2-((S)-2-Acetamido-3-methylbutanamido)propanamido)-4-oxobutanoic acid
CID 644194
Aspartylvaline
CID 4991131
Aspartylisoleucine
CID 21845165
Val-Asn
CID 7020201
Cairomycin A
CID 133131
Asp-Val
CID 7009616
(3S)-3-amino-4-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
CID 12968427

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid (CID 64894369) is 3-amino-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid is CC(C)CCN(C)C(=O)C(N)CC(=O)O.
What is the InChIKey of 3-amino-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid?
The InChIKey is HEIGUFHYXGEZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)4-5-12(3)10(15)8(11)6-9(13)14/h7-8H,4-6,11H2,1-3H3,(H,13,14).
What are the key properties of 3-amino-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid?
3-amino-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 64894369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).