2-amino-3-(1,3-dihydroxypropan-2-ylamino)propanamide

C6H15N3O3 — CID 103237040

IUPAC2-amino-3-(1,3-dihydroxypropan-2-ylamino)propanamide
SMILESNC(=O)C(N)CNC(CO)CO
InChIInChI=1S/C6H15N3O3/c7-5(6(8)12)1-9-4(2-10)3-11/h4-5,9-11H,1-3,7H2,(H2,8,12)
InChIKeyOLAPARIOCQTVJM-UHFFFAOYSA-N
MW177.20 g/mol
LogP-3.26
Rot. Bonds6

About 2-amino-3-(1,3-dihydroxypropan-2-ylamino)propanamide

2-amino-3-(1,3-dihydroxypropan-2-ylamino)propanamide (PubChem CID 103237040) has the molecular formula C6H15N3O3 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-amino-3-(1,3-dihydroxypropan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-amino-3-(1,3-dihydroxypropan-2-ylamino)propanamide
PubChem CID103237040
Molecular FormulaC6H15N3O3
Molecular Weight177.20 g/mol
Exact Mass177.11
IUPAC Name2-amino-3-(1,3-dihydroxypropan-2-ylamino)propanamide
SMILESNC(=O)C(N)CNC(CO)CO
InChIInChI=1S/C6H15N3O3/c7-5(6(8)12)1-9-4(2-10)3-11/h4-5,9-11H,1-3,7H2,(H2,8,12)
InChIKeyOLAPARIOCQTVJM-UHFFFAOYSA-N
XLogP-3.26
TPSA121.60 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-3.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

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2-amino-3-(hexan-2-ylamino)propanamide
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2-amino-3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propanamide
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2-amino-3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,3-dihydroxypropan-2-ylamino)propanamide?
The IUPAC name of 2-amino-3-(1,3-dihydroxypropan-2-ylamino)propanamide (CID 103237040) is 2-amino-3-(1,3-dihydroxypropan-2-ylamino)propanamide.
What is the SMILES notation for 2-amino-3-(1,3-dihydroxypropan-2-ylamino)propanamide?
The canonical SMILES for 2-amino-3-(1,3-dihydroxypropan-2-ylamino)propanamide is NC(=O)C(N)CNC(CO)CO.
What is the InChIKey of 2-amino-3-(1,3-dihydroxypropan-2-ylamino)propanamide?
The InChIKey is OLAPARIOCQTVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O3/c7-5(6(8)12)1-9-4(2-10)3-11/h4-5,9-11H,1-3,7H2,(H2,8,12).
What are the key properties of 2-amino-3-(1,3-dihydroxypropan-2-ylamino)propanamide?
2-amino-3-(1,3-dihydroxypropan-2-ylamino)propanamide has a molecular weight of 177.20 g/mol, XLogP of -3.26, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,3-dihydroxypropan-2-ylamino)propanamide is sourced from PubChem (CID 103237040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).