3-[(2-amino-3-methylpentanoyl)amino]butanoic acid

C10H20N2O3 — CID 61161973

IUPAC3-[(2-amino-3-methylpentanoyl)amino]butanoic acid
SMILESCCC(C)C(N)C(=O)NC(C)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-6(2)9(11)10(15)12-7(3)5-8(13)14/h6-7,9H,4-5,11H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyIUDLFGYZNDARNU-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.34
Rot. Bonds6

About 3-[(2-amino-3-methylpentanoyl)amino]butanoic acid

3-[(2-amino-3-methylpentanoyl)amino]butanoic acid (PubChem CID 61161973) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[(2-amino-3-methylpentanoyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(2-amino-3-methylpentanoyl)amino]butanoic acid
PubChem CID61161973
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-[(2-amino-3-methylpentanoyl)amino]butanoic acid
SMILESCCC(C)C(N)C(=O)NC(C)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-6(2)9(11)10(15)12-7(3)5-8(13)14/h6-7,9H,4-5,11H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyIUDLFGYZNDARNU-UHFFFAOYSA-N
XLogP0.34
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 ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide
CID 93001596
(2S)-2-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-methylpentanamide
CID 107218532
3-(2-aminobutanoylamino)butanoic acid
CID 61159852
2-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 119756305
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid
CID 18501865
3-[[2-[(2-amino-3-methylpentanoyl)amino]-3-carboxypropanoyl]amino]-4-(carboxymethylamino)-4-oxobutanoic acid
CID 18501869
(2S)-2-amino-N-heptan-2-yl-3-methylpentanamide
CID 61173881
3-[[(2R)-2-aminopropanoyl]amino]butanoic acid
CID 78973363
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoic acid;dihydrochloride
CID 160584478
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide
CID 107222401
3-amino-4-(1-carboxypropan-2-ylamino)-4-oxobutanoic acid
CID 64895941
(2S,3S)-2-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylpentanamide
CID 103833178

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-3-methylpentanoyl)amino]butanoic acid?
The IUPAC name of 3-[(2-amino-3-methylpentanoyl)amino]butanoic acid (CID 61161973) is 3-[(2-amino-3-methylpentanoyl)amino]butanoic acid.
What is the SMILES notation for 3-[(2-amino-3-methylpentanoyl)amino]butanoic acid?
The canonical SMILES for 3-[(2-amino-3-methylpentanoyl)amino]butanoic acid is CCC(C)C(N)C(=O)NC(C)CC(=O)O.
What is the InChIKey of 3-[(2-amino-3-methylpentanoyl)amino]butanoic acid?
The InChIKey is IUDLFGYZNDARNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-6(2)9(11)10(15)12-7(3)5-8(13)14/h6-7,9H,4-5,11H2,1-3H3,(H,12,15)(H,13,14).
What are the key properties of 3-[(2-amino-3-methylpentanoyl)amino]butanoic acid?
3-[(2-amino-3-methylpentanoyl)amino]butanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3-methylpentanoyl)amino]butanoic acid is sourced from PubChem (CID 61161973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).