2-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-methylpentanamide

C13H27N3O2 — CID 119756305

IUPAC2-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-methylpentanamide
SMILESCCC(C)NC(=O)C(C)NC(=O)C(N)C(C)CC
InChIInChI=1S/C13H27N3O2/c1-6-8(3)11(14)13(18)16-10(5)12(17)15-9(4)7-2/h8-11H,6-7,14H2,1-5H3,(H,15,17)(H,16,18)
InChIKeyVLXFACRYWDVDRZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.78
Rot. Bonds7

About 2-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-methylpentanamide

2-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-methylpentanamide (PubChem CID 119756305) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-methylpentanamide
PubChem CID119756305
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-methylpentanamide
SMILESCCC(C)NC(=O)C(C)NC(=O)C(N)C(C)CC
InChIInChI=1S/C13H27N3O2/c1-6-8(3)11(14)13(18)16-10(5)12(17)15-9(4)7-2/h8-11H,6-7,14H2,1-5H3,(H,15,17)(H,16,18)
InChIKeyVLXFACRYWDVDRZ-UHFFFAOYSA-N
XLogP0.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.78
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,3S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 61154563
(2S)-2-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-methylpentanamide
CID 107218532
3-[(2-amino-3-methylpentanoyl)amino]butanoic acid
CID 61161973
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoic acid;dihydrochloride
CID 160584478
2-[2-[2-[(2-amino-3-methylpentanoyl)amino]propanoylamino]propanoylamino]-3-hydroxybutanoic acid
CID 18500620
2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 113407095
(2S,3S)-2-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylpentanamide
CID 103833178
(2S,3S)-2-amino-3-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61472767
(2S)-2-amino-N-heptan-2-yl-3-methylpentanamide
CID 61173881
2-[[2-[2-[(2-amino-3-methylpentanoyl)amino]propanoylamino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
CID 18500917
4-amino-2-[2-[2-[(2-amino-3-methylpentanoyl)amino]propanoylamino]propanoylamino]-4-oxobutanoic acid
CID 18500607

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-methylpentanamide (CID 119756305) is 2-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-methylpentanamide is CCC(C)NC(=O)C(C)NC(=O)C(N)C(C)CC.
What is the InChIKey of 2-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-methylpentanamide?
The InChIKey is VLXFACRYWDVDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-6-8(3)11(14)13(18)16-10(5)12(17)15-9(4)7-2/h8-11H,6-7,14H2,1-5H3,(H,15,17)(H,16,18).
What are the key properties of 2-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-methylpentanamide?
2-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-methylpentanamide has a molecular weight of 257.38 g/mol, XLogP of 0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-methylpentanamide is sourced from PubChem (CID 119756305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).