5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid

C9H17NO4 — CID 62966087

IUPAC5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCCCO
InChIInChI=1S/C9H17NO4/c1-7(6-9(13)14)5-8(12)10-3-2-4-11/h7,11H,2-6H2,1H3,(H,10,12)(H,13,14)
InChIKeyNBSROBMZKAGRPF-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.01
Rot. Bonds7

About 5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid

5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid (PubChem CID 62966087) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid
PubChem CID62966087
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCCCO
InChIInChI=1S/C9H17NO4/c1-7(6-9(13)14)5-8(12)10-3-2-4-11/h7,11H,2-6H2,1H3,(H,10,12)(H,13,14)
InChIKeyNBSROBMZKAGRPF-UHFFFAOYSA-N
XLogP-0.01
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(3-hydroxypropyl)-3-methylpentanamide
CID 173107720
5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid
CID 62965238
3-methyl-5-(7-methyloctylamino)-5-oxopentanoic acid
CID 62964548
5-(3-ethenoxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62964547
N-(4-hydroxybutyl)-3,5,5-trimethylhexanamide
CID 106843836
5-[2-[ethyl(methyl)amino]ethylamino]-3-methyl-5-oxopentanoic acid
CID 62963726
5-(3-cyclohexyloxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62964201
5-(cyanomethylamino)-3-methyl-5-oxopentanoic acid
CID 62965259
5-[(2-amino-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62966422
3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 62963901
(3R)-3-methyl-5-oxo-5-(2-pyrrolidin-1-ylethylamino)pentanoic acid
CID 7318552
3-methyl-5-oxo-5-(3-phenylmethoxypropylamino)pentanoic acid
CID 62965038

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid (CID 62966087) is 5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)NCCCO.
What is the InChIKey of 5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid?
The InChIKey is NBSROBMZKAGRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-7(6-9(13)14)5-8(12)10-3-2-4-11/h7,11H,2-6H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid?
5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid has a molecular weight of 203.24 g/mol, XLogP of -0.01, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62966087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).