2-amino-N-(2-hydroxy-4,4-dimethylpentyl)propanamide

C10H22N2O2 — CID 103797355

IUPAC2-amino-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
SMILESCC(N)C(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-7(11)9(14)12-6-8(13)5-10(2,3)4/h7-8,13H,5-6,11H2,1-4H3,(H,12,14)
InChIKeyQGHRLLRVYAKCPJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.25
Rot. Bonds4

About 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)propanamide

2-amino-N-(2-hydroxy-4,4-dimethylpentyl)propanamide (PubChem CID 103797355) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
PubChem CID103797355
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-amino-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
SMILESCC(N)C(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-7(11)9(14)12-6-8(13)5-10(2,3)4/h7-8,13H,5-6,11H2,1-4H3,(H,12,14)
InChIKeyQGHRLLRVYAKCPJ-UHFFFAOYSA-N
XLogP0.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-hydroxybutyl)propanamide
CID 104866791
2-cyclopropyl-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
CID 103722198
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-(oxan-4-yl)acetamide
CID 120793986
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbutanamide
CID 107152773
N-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide
CID 107151804
N-(2-hydroxy-4,4-dimethylpentyl)-4,4-dimethylpentanamide
CID 113239541
methyl 3-(2-aminopropanoylamino)-2-hydroxypropanoate
CID 103846044
2-[[(2-amino-4-methylpentanoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475476
N-(2-hydroxy-4,4-dimethylpentyl)-4-oxopentanamide
CID 107153016
3-(aminomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide
CID 107152806
4-(2-aminoethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide
CID 107152864
(2S)-2-amino-N-(2-methylbutyl)propanamide
CID 59620908

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)propanamide?
The IUPAC name of 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)propanamide (CID 103797355) is 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)propanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)propanamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)propanamide is CC(N)C(=O)NCC(O)CC(C)(C)C.
What is the InChIKey of 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)propanamide?
The InChIKey is QGHRLLRVYAKCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-7(11)9(14)12-6-8(13)5-10(2,3)4/h7-8,13H,5-6,11H2,1-4H3,(H,12,14).
What are the key properties of 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)propanamide?
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)propanamide has a molecular weight of 202.30 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)propanamide is sourced from PubChem (CID 103797355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).