2-(3-hydroxypropylamino)-3-methylbutanamide

C8H18N2O2 — CID 103914237

IUPAC2-(3-hydroxypropylamino)-3-methylbutanamide
SMILESCC(C)C(NCCCO)C(N)=O
InChIInChI=1S/C8H18N2O2/c1-6(2)7(8(9)12)10-4-3-5-11/h6-7,10-11H,3-5H2,1-2H3,(H2,9,12)
InChIKeyRDTRYAZAJZWZLJ-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.53
Rot. Bonds6

About 2-(3-hydroxypropylamino)-3-methylbutanamide

2-(3-hydroxypropylamino)-3-methylbutanamide (PubChem CID 103914237) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-(3-hydroxypropylamino)-3-methylbutanamide.

Molecular Properties

Compound Name2-(3-hydroxypropylamino)-3-methylbutanamide
PubChem CID103914237
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-(3-hydroxypropylamino)-3-methylbutanamide
SMILESCC(C)C(NCCCO)C(N)=O
InChIInChI=1S/C8H18N2O2/c1-6(2)7(8(9)12)10-4-3-5-11/h6-7,10-11H,3-5H2,1-2H3,(H2,9,12)
InChIKeyRDTRYAZAJZWZLJ-UHFFFAOYSA-N
XLogP-0.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.53
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

3-methyl-2-(pentylamino)butanamide
CID 103914102
(2S)-2-(3-aminopropylamino)-3-methylbutanamide;hydrochloride
CID 171647987
(2S)-3-methyl-2-(tetradecylamino)butanamide
CID 54544525
2-(3-hydroxypropylamino)propanamide
CID 43392787
2-[(2-amino-2-oxoethyl)amino]-3-methylbutanamide
CID 103914024
2-[[3-(dimethylamino)-3-oxopropyl]amino]-3-methylbutanamide
CID 103914269
N-carbamoyl-2-(3-hydroxypropylamino)propanamide
CID 43392786
carbamoyl 2-[7-[(1-carbamoyloxy-3-methyl-1-oxobutan-2-yl)amino]heptylamino]-3-methylbutanoate
CID 123513496
3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butanamide
CID 106344756
2-[(3-cyano-3-methylbutyl)amino]-3-methylbutanamide
CID 103925507
2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide
CID 106843387
3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanamide
CID 103914253

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylamino)-3-methylbutanamide?
The IUPAC name of 2-(3-hydroxypropylamino)-3-methylbutanamide (CID 103914237) is 2-(3-hydroxypropylamino)-3-methylbutanamide.
What is the SMILES notation for 2-(3-hydroxypropylamino)-3-methylbutanamide?
The canonical SMILES for 2-(3-hydroxypropylamino)-3-methylbutanamide is CC(C)C(NCCCO)C(N)=O.
What is the InChIKey of 2-(3-hydroxypropylamino)-3-methylbutanamide?
The InChIKey is RDTRYAZAJZWZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6(2)7(8(9)12)10-4-3-5-11/h6-7,10-11H,3-5H2,1-2H3,(H2,9,12).
What are the key properties of 2-(3-hydroxypropylamino)-3-methylbutanamide?
2-(3-hydroxypropylamino)-3-methylbutanamide has a molecular weight of 174.24 g/mol, XLogP of -0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylamino)-3-methylbutanamide is sourced from PubChem (CID 103914237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).