3-(3-hydroxypropanoylamino)propanamide

C6H12N2O3 — CID 149237763

IUPAC3-(3-hydroxypropanoylamino)propanamide
SMILESNC(=O)CCNC(=O)CCO
InChIInChI=1S/C6H12N2O3/c7-5(10)1-3-8-6(11)2-4-9/h9H,1-4H2,(H2,7,10)(H,8,11)
InChIKeyXLOJFJLQXDBWBL-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.64
Rot. Bonds5

About 3-(3-hydroxypropanoylamino)propanamide

3-(3-hydroxypropanoylamino)propanamide (PubChem CID 149237763) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 3-(3-hydroxypropanoylamino)propanamide.

Molecular Properties

Compound Name3-(3-hydroxypropanoylamino)propanamide
PubChem CID149237763
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name3-(3-hydroxypropanoylamino)propanamide
SMILESNC(=O)CCNC(=O)CCO
InChIInChI=1S/C6H12N2O3/c7-5(10)1-3-8-6(11)2-4-9/h9H,1-4H2,(H2,7,10)(H,8,11)
InChIKeyXLOJFJLQXDBWBL-UHFFFAOYSA-N
XLogP-1.64
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-hydroxypropanoylamino)propanoic acid
CID 117126681
N'-(2-sulfanylethyl)butanediamide
CID 15293890
N-(3-amino-3-oxopropyl)octadecanamide
CID 57257667
(E)-N'-(2-hydroxyethyl)octadec-9-enediamide
CID 87767010
2-[(4-amino-4-oxobutanoyl)amino]ethanesulfinic acid
CID 147502050
3-[(2-ethoxyacetyl)amino]propanamide
CID 64591348
3-hydroxy-N-pentylpropanamide
CID 94252202
N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide
CID 43553907
N'-[3-(dimethylamino)propyl]hexanediamide
CID 174324158
4-hydroxy-N-[2-(4-hydroxybutanoylamino)ethyl]butanamide
CID 95562402
3-(3-bromoprop-2-ynoylamino)propanamide
CID 130612008
3-hydroxy-N-pentadecylpropanamide
CID 11055663

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropanoylamino)propanamide?
The IUPAC name of 3-(3-hydroxypropanoylamino)propanamide (CID 149237763) is 3-(3-hydroxypropanoylamino)propanamide.
What is the SMILES notation for 3-(3-hydroxypropanoylamino)propanamide?
The canonical SMILES for 3-(3-hydroxypropanoylamino)propanamide is NC(=O)CCNC(=O)CCO.
What is the InChIKey of 3-(3-hydroxypropanoylamino)propanamide?
The InChIKey is XLOJFJLQXDBWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c7-5(10)1-3-8-6(11)2-4-9/h9H,1-4H2,(H2,7,10)(H,8,11).
What are the key properties of 3-(3-hydroxypropanoylamino)propanamide?
3-(3-hydroxypropanoylamino)propanamide has a molecular weight of 160.17 g/mol, XLogP of -1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropanoylamino)propanamide is sourced from PubChem (CID 149237763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).