2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide

C10H22N2O4 — CID 107852753

IUPAC2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)NC(CO)(CO)CO
InChIInChI=1S/C10H22N2O4/c1-7(2)3-8(11)9(16)12-10(4-13,5-14)6-15/h7-8,13-15H,3-6,11H2,1-2H3,(H,12,16)
InChIKeyFDPSBGJSVOKMTQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP-1.81
Rot. Bonds7

About 2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide

2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide (PubChem CID 107852753) has the molecular formula C10H22N2O4 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide
PubChem CID107852753
Molecular FormulaC10H22N2O4
Molecular Weight234.30 g/mol
Exact Mass234.16
IUPAC Name2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)NC(CO)(CO)CO
InChIInChI=1S/C10H22N2O4/c1-7(2)3-8(11)9(16)12-10(4-13,5-14)6-15/h7-8,13-15H,3-6,11H2,1-2H3,(H,12,16)
InChIKeyFDPSBGJSVOKMTQ-UHFFFAOYSA-N
XLogP-1.81
TPSA115.81 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-1.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-(3-ethylpentan-3-yl)-4-methylpentanamide
CID 104903603
(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide
CID 104873418
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbutanamide
CID 107852750
2-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide
CID 107847321
2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-ethylbutanoic acid
CID 79803549
(2R)-2-amino-N-hydroxy-4-methylpentanamide
CID 6951121
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethyl-2-propan-2-ylpentanamide
CID 118545041
2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide
CID 106176696
(4S,7S)-4,7-diamino-2,9-dimethyldecane-5,6-dione
CID 57076326
(2S)-2-amino-4-methyl-N-(3-methylbutanoyl)pentanamide
CID 18652043
2-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylpentanamide
CID 114010603
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 62049630

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide?
The IUPAC name of 2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide (CID 107852753) is 2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide?
The canonical SMILES for 2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide is CC(C)CC(N)C(=O)NC(CO)(CO)CO.
What is the InChIKey of 2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide?
The InChIKey is FDPSBGJSVOKMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4/c1-7(2)3-8(11)9(16)12-10(4-13,5-14)6-15/h7-8,13-15H,3-6,11H2,1-2H3,(H,12,16).
What are the key properties of 2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide?
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide has a molecular weight of 234.30 g/mol, XLogP of -1.81, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide is sourced from PubChem (CID 107852753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).