4-amino-N-(1,3-dihydroxypropan-2-yl)butanamide

C7H16N2O3 — CID 65314276

IUPAC4-amino-N-(1,3-dihydroxypropan-2-yl)butanamide
SMILESNCCCC(=O)NC(CO)CO
InChIInChI=1S/C7H16N2O3/c8-3-1-2-7(12)9-6(4-10)5-11/h6,10-11H,1-5,8H2,(H,9,12)
InChIKeyLEIJCQDNAVHDAY-UHFFFAOYSA-N
MW176.22 g/mol
LogP-1.81
Rot. Bonds6

About 4-amino-N-(1,3-dihydroxypropan-2-yl)butanamide

4-amino-N-(1,3-dihydroxypropan-2-yl)butanamide (PubChem CID 65314276) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-amino-N-(1,3-dihydroxypropan-2-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-(1,3-dihydroxypropan-2-yl)butanamide
PubChem CID65314276
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name4-amino-N-(1,3-dihydroxypropan-2-yl)butanamide
SMILESNCCCC(=O)NC(CO)CO
InChIInChI=1S/C7H16N2O3/c8-3-1-2-7(12)9-6(4-10)5-11/h6,10-11H,1-5,8H2,(H,9,12)
InChIKeyLEIJCQDNAVHDAY-UHFFFAOYSA-N
XLogP-1.81
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-1.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(1,3-dihydroxypropan-2-yl)pentanamide
CID 65312302
2-amino-N-(1,3-dihydroxypropan-2-yl)acetamide
CID 65314479
N-(1,3-dihydroxypropan-2-yl)tridecanamide
CID 87498301
7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
CID 79250170
2-(7-aminoheptanoylamino)-3-hydroxypropanoic acid
CID 61157743
4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide
CID 79201131
N-(1-hydroxybutan-2-yl)pentanamide
CID 43417907
7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride
CID 119678384
N-[(2S)-1-hydroxybutan-2-yl]hexanamide
CID 104981701
N-(1,3-dihydroxypropan-2-yl)propanamide
CID 20616556
2-(4-aminobutanoylamino)-3,3-dimethylbutanamide;hydrochloride
CID 119320432
5-amino-N-(4-hydroxybutan-2-yl)pentanamide
CID 83177679

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-dihydroxypropan-2-yl)butanamide?
The IUPAC name of 4-amino-N-(1,3-dihydroxypropan-2-yl)butanamide (CID 65314276) is 4-amino-N-(1,3-dihydroxypropan-2-yl)butanamide.
What is the SMILES notation for 4-amino-N-(1,3-dihydroxypropan-2-yl)butanamide?
The canonical SMILES for 4-amino-N-(1,3-dihydroxypropan-2-yl)butanamide is NCCCC(=O)NC(CO)CO.
What is the InChIKey of 4-amino-N-(1,3-dihydroxypropan-2-yl)butanamide?
The InChIKey is LEIJCQDNAVHDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c8-3-1-2-7(12)9-6(4-10)5-11/h6,10-11H,1-5,8H2,(H,9,12).
What are the key properties of 4-amino-N-(1,3-dihydroxypropan-2-yl)butanamide?
4-amino-N-(1,3-dihydroxypropan-2-yl)butanamide has a molecular weight of 176.22 g/mol, XLogP of -1.81, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-dihydroxypropan-2-yl)butanamide is sourced from PubChem (CID 65314276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).