N-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide

C9H18N2O3 — CID 107261286

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC(O)C(N)=O
InChIInChI=1S/C9H18N2O3/c1-6(2)3-4-8(13)11-5-7(12)9(10)14/h6-7,12H,3-5H2,1-2H3,(H2,10,14)(H,11,13)
InChIKeyKGVDPRQWMDJYJY-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.62
Rot. Bonds6

About N-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide

N-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide (PubChem CID 107261286) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide
PubChem CID107261286
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC(O)C(N)=O
InChIInChI=1S/C9H18N2O3/c1-6(2)3-4-8(13)11-5-7(12)9(10)14/h6-7,12H,3-5H2,1-2H3,(H2,10,14)(H,11,13)
InChIKeyKGVDPRQWMDJYJY-UHFFFAOYSA-N
XLogP-0.62
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxopentanamide
CID 106173492
N-[(2S)-2-hydroxypropyl]-4-methylpentanamide
CID 83030953
N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methylamino)butanamide
CID 106175507
N-[(2R)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
CID 97014440
N-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
CID 97014441
4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide
CID 106175744
2-hydroxy-3-[(2-methylsulfanylacetyl)amino]propanamide
CID 106164287
N-(2-aminobutyl)-4-methylpentanamide
CID 63730752
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxy-3-methylbutanamide
CID 106164776
N-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide
CID 88911666
2-[(4-methylpentanoylamino)methyl]butanoic acid
CID 65218039
N-[2-(diethylamino)propyl]-4-methylpentanamide
CID 86982986

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide (CID 107261286) is N-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide is CC(C)CCC(=O)NCC(O)C(N)=O.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide?
The InChIKey is KGVDPRQWMDJYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-6(2)3-4-8(13)11-5-7(12)9(10)14/h6-7,12H,3-5H2,1-2H3,(H2,10,14)(H,11,13).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide has a molecular weight of 202.25 g/mol, XLogP of -0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide is sourced from PubChem (CID 107261286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).