3-(1-hydroxybutan-2-ylamino)propanamide

C7H16N2O2 — CID 43389836

IUPAC3-(1-hydroxybutan-2-ylamino)propanamide
SMILESCCC(CO)NCCC(N)=O
InChIInChI=1S/C7H16N2O2/c1-2-6(5-10)9-4-3-7(8)11/h6,9-10H,2-5H2,1H3,(H2,8,11)
InChIKeyQJCQRKFUXZPLJC-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.78
Rot. Bonds6

About 3-(1-hydroxybutan-2-ylamino)propanamide

3-(1-hydroxybutan-2-ylamino)propanamide (PubChem CID 43389836) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-(1-hydroxybutan-2-ylamino)propanamide.

Molecular Properties

Compound Name3-(1-hydroxybutan-2-ylamino)propanamide
PubChem CID43389836
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name3-(1-hydroxybutan-2-ylamino)propanamide
SMILESCCC(CO)NCCC(N)=O
InChIInChI=1S/C7H16N2O2/c1-2-6(5-10)9-4-3-7(8)11/h6,9-10H,2-5H2,1H3,(H2,8,11)
InChIKeyQJCQRKFUXZPLJC-UHFFFAOYSA-N
XLogP-0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(heptan-3-ylamino)propanamide
CID 63944906
(2S)-2-[2-[[(2S)-1-aminobutan-2-yl]amino]ethylamino]butan-1-ol
CID 101136942
3-(3-methylpentan-2-ylamino)propanamide
CID 43553184
3-(propan-2-ylamino)propanamide
CID 18768059
ethyl 2-[(3-amino-3-oxopropyl)amino]butanoate
CID 64668159
(2S)-2-(pentylamino)butan-1-ol
CID 28724748
2-(decylamino)butan-1-ol
CID 60668820
(2R)-2-[2-(propylamino)ethylamino]butan-1-ol
CID 126512717
ethyl 3-[(1-hydroxy-4-methylpentan-2-yl)amino]propanoate
CID 61246589
2-(1,3-dihydroxypropan-2-ylamino)-N-pentan-3-ylacetamide
CID 65313831
2-amino-N-(3-amino-3-oxopropyl)butanamide
CID 43649631
4-(2,6-dimethylheptan-4-ylamino)butanamide
CID 60863746

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxybutan-2-ylamino)propanamide?
The IUPAC name of 3-(1-hydroxybutan-2-ylamino)propanamide (CID 43389836) is 3-(1-hydroxybutan-2-ylamino)propanamide.
What is the SMILES notation for 3-(1-hydroxybutan-2-ylamino)propanamide?
The canonical SMILES for 3-(1-hydroxybutan-2-ylamino)propanamide is CCC(CO)NCCC(N)=O.
What is the InChIKey of 3-(1-hydroxybutan-2-ylamino)propanamide?
The InChIKey is QJCQRKFUXZPLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-2-6(5-10)9-4-3-7(8)11/h6,9-10H,2-5H2,1H3,(H2,8,11).
What are the key properties of 3-(1-hydroxybutan-2-ylamino)propanamide?
3-(1-hydroxybutan-2-ylamino)propanamide has a molecular weight of 160.22 g/mol, XLogP of -0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxybutan-2-ylamino)propanamide is sourced from PubChem (CID 43389836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).