2-[(3-amino-2-methylpropanoyl)amino]-3-methylpentanoic acid

C10H20N2O3 — CID 62669281

IUPAC2-[(3-amino-2-methylpropanoyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)C(C)CN)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-6(2)8(10(14)15)12-9(13)7(3)5-11/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyVOPAORPZZJHAHZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.20
Rot. Bonds6

About 2-[(3-amino-2-methylpropanoyl)amino]-3-methylpentanoic acid

2-[(3-amino-2-methylpropanoyl)amino]-3-methylpentanoic acid (PubChem CID 62669281) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[(3-amino-2-methylpropanoyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[(3-amino-2-methylpropanoyl)amino]-3-methylpentanoic acid
PubChem CID62669281
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[(3-amino-2-methylpropanoyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)C(C)CN)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-6(2)8(10(14)15)12-9(13)7(3)5-11/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyVOPAORPZZJHAHZ-UHFFFAOYSA-N
XLogP0.20
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-amino-2-methylbutanoyl)amino]-3-methylpentanoic acid
CID 80543638
(2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid
CID 30050139
2-(2-aminobutanoylamino)-3-methylpentanoic acid
CID 3625226
(2S)-2-(2-ethylbutanoylamino)-3-methylpentanoic acid
CID 61173595
(2S)-2-[(2-amino-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 61174009
2-(carboxyamino)-3-methylpentanoic acid
CID 19101858
(2S,3S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid
CID 61173670
(2S,3S)-2-(2-aminoethylamino)-3-methylpentanoic acid
CID 71365518
2-(2-acetamidopropanoylamino)-3-methylpentanoic acid
CID 19431410
(2S,3S)-2-(2-butoxypropanoylamino)-3-methylpentanoic acid
CID 119194057
2-[(5-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid
CID 82011210
3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide
CID 62668866

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-methylpropanoyl)amino]-3-methylpentanoic acid?
The IUPAC name of 2-[(3-amino-2-methylpropanoyl)amino]-3-methylpentanoic acid (CID 62669281) is 2-[(3-amino-2-methylpropanoyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[(3-amino-2-methylpropanoyl)amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[(3-amino-2-methylpropanoyl)amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)C(C)CN)C(=O)O.
What is the InChIKey of 2-[(3-amino-2-methylpropanoyl)amino]-3-methylpentanoic acid?
The InChIKey is VOPAORPZZJHAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-6(2)8(10(14)15)12-9(13)7(3)5-11/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(3-amino-2-methylpropanoyl)amino]-3-methylpentanoic acid?
2-[(3-amino-2-methylpropanoyl)amino]-3-methylpentanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-methylpropanoyl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 62669281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).