methyl 2-[(2-amino-3-methylpentanoyl)amino]butanoate

C11H22N2O3 — CID 119709055

IUPACmethyl 2-[(2-amino-3-methylpentanoyl)amino]butanoate
SMILESCCC(NC(=O)C(N)C(C)CC)C(=O)OC
InChIInChI=1S/C11H22N2O3/c1-5-7(3)9(12)10(14)13-8(6-2)11(15)16-4/h7-9H,5-6,12H2,1-4H3,(H,13,14)
InChIKeyUHEBDEUTSNXOEN-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.43
Rot. Bonds6

About methyl 2-[(2-amino-3-methylpentanoyl)amino]butanoate

methyl 2-[(2-amino-3-methylpentanoyl)amino]butanoate (PubChem CID 119709055) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 2-[(2-amino-3-methylpentanoyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-3-methylpentanoyl)amino]butanoate
PubChem CID119709055
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 2-[(2-amino-3-methylpentanoyl)amino]butanoate
SMILESCCC(NC(=O)C(N)C(C)CC)C(=O)OC
InChIInChI=1S/C11H22N2O3/c1-5-7(3)9(12)10(14)13-8(6-2)11(15)16-4/h7-9H,5-6,12H2,1-4H3,(H,13,14)
InChIKeyUHEBDEUTSNXOEN-UHFFFAOYSA-N
XLogP0.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide
CID 93001596
methyl 2-[[(2S)-2,4-dimethylpentanoyl]amino]butanoate
CID 170397026
(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-[[(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-carboxyethyl]disulfanyl]propanoic acid
CID 88519448
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid
CID 18501865
(2S)-2-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-methylpentanamide
CID 107218532
(2S,3S)-2-amino-3-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61472767
(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]pentanedioic acid
CID 7009625
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 118060725
methyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoate
CID 101237851
3-[(2-amino-3-methylpentanoyl)amino]butanoic acid
CID 61161973
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-3-methylpentanoyl)amino]butanoate?
The IUPAC name of methyl 2-[(2-amino-3-methylpentanoyl)amino]butanoate (CID 119709055) is methyl 2-[(2-amino-3-methylpentanoyl)amino]butanoate.
What is the SMILES notation for methyl 2-[(2-amino-3-methylpentanoyl)amino]butanoate?
The canonical SMILES for methyl 2-[(2-amino-3-methylpentanoyl)amino]butanoate is CCC(NC(=O)C(N)C(C)CC)C(=O)OC.
What is the InChIKey of methyl 2-[(2-amino-3-methylpentanoyl)amino]butanoate?
The InChIKey is UHEBDEUTSNXOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-7(3)9(12)10(14)13-8(6-2)11(15)16-4/h7-9H,5-6,12H2,1-4H3,(H,13,14).
What are the key properties of methyl 2-[(2-amino-3-methylpentanoyl)amino]butanoate?
methyl 2-[(2-amino-3-methylpentanoyl)amino]butanoate has a molecular weight of 230.31 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-3-methylpentanoyl)amino]butanoate is sourced from PubChem (CID 119709055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).