4-amino-5-oxo-5-[propan-2-yl(propyl)amino]pentanoic acid

C11H22N2O3 — CID 64896188

IUPAC4-amino-5-oxo-5-[propan-2-yl(propyl)amino]pentanoic acid
SMILESCCCN(C(=O)C(N)CCC(=O)O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-4-7-13(8(2)3)11(16)9(12)5-6-10(14)15/h8-9H,4-7,12H2,1-3H3,(H,14,15)
InChIKeyWUWDXWZLFBQFLL-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.83
Rot. Bonds7

About 4-amino-5-oxo-5-[propan-2-yl(propyl)amino]pentanoic acid

4-amino-5-oxo-5-[propan-2-yl(propyl)amino]pentanoic acid (PubChem CID 64896188) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-amino-5-oxo-5-[propan-2-yl(propyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-amino-5-oxo-5-[propan-2-yl(propyl)amino]pentanoic acid
PubChem CID64896188
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-amino-5-oxo-5-[propan-2-yl(propyl)amino]pentanoic acid
SMILESCCCN(C(=O)C(N)CCC(=O)O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-4-7-13(8(2)3)11(16)9(12)5-6-10(14)15/h8-9H,4-7,12H2,1-3H3,(H,14,15)
InChIKeyWUWDXWZLFBQFLL-UHFFFAOYSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-4-methylsulfanyl-N-propan-2-yl-N-propylbutanamide
CID 104906933
4-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-5-oxopentanoic acid
CID 64890891
2-amino-5-methoxy-N-propan-2-yl-N-propylpentanamide
CID 81081647
(2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide
CID 104983873
4-[(2-amino-5-methoxypentanoyl)-propan-2-ylamino]butanoic acid
CID 81089259
(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]-pentylamino]butanedioic acid
CID 122459715
4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 61196397
(2S)-2-amino-N-(2-cyanoethyl)-N-propan-2-ylhexanamide
CID 107143877
(4S)-4-amino-5-oxooctanoic acid
CID 90935550
2-amino-N-pentyl-4-phenyl-N-propan-2-ylbutanamide
CID 114926657
(2S)-2-aminopentanedioic acid;butanedioic acid;butanoic acid
CID 158042899
4-amino-5-[methyl(2-methylbutan-2-yl)amino]-5-oxopentanoic acid
CID 64888587

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-oxo-5-[propan-2-yl(propyl)amino]pentanoic acid?
The IUPAC name of 4-amino-5-oxo-5-[propan-2-yl(propyl)amino]pentanoic acid (CID 64896188) is 4-amino-5-oxo-5-[propan-2-yl(propyl)amino]pentanoic acid.
What is the SMILES notation for 4-amino-5-oxo-5-[propan-2-yl(propyl)amino]pentanoic acid?
The canonical SMILES for 4-amino-5-oxo-5-[propan-2-yl(propyl)amino]pentanoic acid is CCCN(C(=O)C(N)CCC(=O)O)C(C)C.
What is the InChIKey of 4-amino-5-oxo-5-[propan-2-yl(propyl)amino]pentanoic acid?
The InChIKey is WUWDXWZLFBQFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-7-13(8(2)3)11(16)9(12)5-6-10(14)15/h8-9H,4-7,12H2,1-3H3,(H,14,15).
What are the key properties of 4-amino-5-oxo-5-[propan-2-yl(propyl)amino]pentanoic acid?
4-amino-5-oxo-5-[propan-2-yl(propyl)amino]pentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-oxo-5-[propan-2-yl(propyl)amino]pentanoic acid is sourced from PubChem (CID 64896188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).