4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid

C11H21N3O4 — CID 64890082

IUPAC4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid
SMILESCCCNC(=O)CN(C)C(=O)C(N)CCC(=O)O
InChIInChI=1S/C11H21N3O4/c1-3-6-13-9(15)7-14(2)11(18)8(12)4-5-10(16)17/h8H,3-7,12H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyHAVUSTJLEBUUIM-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.84
Rot. Bonds8

About 4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid

4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid (PubChem CID 64890082) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid
PubChem CID64890082
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid
SMILESCCCNC(=O)CN(C)C(=O)C(N)CCC(=O)O
InChIInChI=1S/C11H21N3O4/c1-3-6-13-9(15)7-14(2)11(18)8(12)4-5-10(16)17/h8H,3-7,12H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyHAVUSTJLEBUUIM-UHFFFAOYSA-N
XLogP-0.84
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-5-oxopentanoic acid
CID 64890489
2-amino-4-methoxy-N-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 62472504
(2R)-2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylpentanamide
CID 103795683
(2R)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylpentanamide
CID 93373594
2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylhexanamide
CID 54873029
(2R)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pentanamide
CID 107570541
4-amino-5-[methyl-[2-(methylamino)ethyl]amino]-5-oxopentanoic acid
CID 64889359
2-amino-4-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide
CID 62474499
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 76895208
(2S)-2-[[2-[[(2S)-2-amino-4-(dodecanoylamino)butanoyl]-methylamino]acetyl]amino]butanedioic acid
CID 11705789
(4S)-4-amino-5-[2,2-dihydroxyethyl(methyl)amino]-5-oxopentanoic acid
CID 153453865
2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]hexanamide
CID 54871547

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid (CID 64890082) is 4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid is CCCNC(=O)CN(C)C(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid?
The InChIKey is HAVUSTJLEBUUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-3-6-13-9(15)7-14(2)11(18)8(12)4-5-10(16)17/h8H,3-7,12H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid?
4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.84, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 64890082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).