N-(1,3-dihydroxypropan-2-yl)propanamide

C6H13NO3 — CID 20616556

IUPACN-(1,3-dihydroxypropan-2-yl)propanamide
SMILESCCC(=O)NC(CO)CO
InChIInChI=1S/C6H13NO3/c1-2-6(10)7-5(3-8)4-9/h5,8-9H,2-4H2,1H3,(H,7,10)
InChIKeyHSQLIHQKMIJWSS-UHFFFAOYSA-N
MW147.17 g/mol
LogP-1.13
Rot. Bonds4

About N-(1,3-dihydroxypropan-2-yl)propanamide

N-(1,3-dihydroxypropan-2-yl)propanamide (PubChem CID 20616556) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)propanamide
PubChem CID20616556
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC NameN-(1,3-dihydroxypropan-2-yl)propanamide
SMILESCCC(=O)NC(CO)CO
InChIInChI=1S/C6H13NO3/c1-2-6(10)7-5(3-8)4-9/h5,8-9H,2-4H2,1H3,(H,7,10)
InChIKeyHSQLIHQKMIJWSS-UHFFFAOYSA-N
XLogP-1.13
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-3-hydroxypropan-2-yl)propanamide;ethane
CID 144801486
N-(1,3-dihydroxypropan-2-yl)-2-ethoxyacetamide
CID 65314889
2-amino-N-(1,3-dihydroxypropan-2-yl)acetamide
CID 65314479
N-(1,3-dihydroxypropan-2-yl)tridecanamide
CID 87498301
2-chloro-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 12032305
N-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide
CID 107222412
2-(1,3-dihydroxypropan-2-ylamino)-N-pentan-3-ylacetamide
CID 65313831
3-hydroxy-2-(propanoylamino)propanoic acid
CID 11845678
4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide
CID 79201131
N-(1-hydroxybutan-2-yl)pentanamide
CID 43417907
N-(2-hydroxy-1-methoxyethyl)propanamide
CID 22735160
N-[(2R)-1-hydroxybutan-2-yl]but-3-enamide
CID 104868905

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)propanamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)propanamide (CID 20616556) is N-(1,3-dihydroxypropan-2-yl)propanamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)propanamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)propanamide is CCC(=O)NC(CO)CO.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)propanamide?
The InChIKey is HSQLIHQKMIJWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-2-6(10)7-5(3-8)4-9/h5,8-9H,2-4H2,1H3,(H,7,10).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)propanamide?
N-(1,3-dihydroxypropan-2-yl)propanamide has a molecular weight of 147.17 g/mol, XLogP of -1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)propanamide is sourced from PubChem (CID 20616556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).