2-amino-3-(2,3-dihydroxypropylamino)propanamide

C6H15N3O3 — CID 103256231

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

About 2-amino-3-(2,3-dihydroxypropylamino)propanamide

2-amino-3-(2,3-dihydroxypropylamino)propanamide (PubChem CID 103256231) has the molecular formula C6H15N3O3 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-amino-3-(2,3-dihydroxypropylamino)propanamide.

Molecular Properties

Compound Name2-amino-3-(2,3-dihydroxypropylamino)propanamide
PubChem CID103256231
Molecular FormulaC6H15N3O3
Molecular Weight177.20 g/mol
Exact Mass177.11
IUPAC Name2-amino-3-(2,3-dihydroxypropylamino)propanamide
SMILESNC(=O)C(N)CNCC(O)CO
InChIInChI=1S/C6H15N3O3/c7-5(6(8)12)2-9-1-4(11)3-10/h4-5,9-11H,1-3,7H2,(H2,8,12)
InChIKeyYFKDZZFLZHUCBT-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

2-amino-3-[(2-hydroxy-3-methoxypropyl)amino]propanamide
CID 103253317
(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol
CID 93482173
2-amino-3-(2-methylpropylamino)propanamide
CID 103231048
2-amino-3-(2-ethylbutylamino)propanamide
CID 103267063
2-amino-3-(1,3-dihydroxypropan-2-ylamino)propanamide
CID 103237040
[(2R)-2,3-dihydroxypropyl]urea
CID 88558789
2-amino-3-[2-(3-hydroxypropylsulfanyl)ethylamino]propanamide
CID 106305612
2-amino-3-[2-(carbamoylamino)ethylamino]propanamide
CID 103262445
2-amino-3-hydroxypropanamide;hydrochloride
CID 3085322
2-(2,3-dihydroxypropylamino)oxyacetamide
CID 112673854
2-amino-3-(butylamino)propanamide
CID 103232681
4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-3-hydroxybutanoic acid
CID 106178077

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,3-dihydroxypropylamino)propanamide?
The IUPAC name of 2-amino-3-(2,3-dihydroxypropylamino)propanamide (CID 103256231) is 2-amino-3-(2,3-dihydroxypropylamino)propanamide.
What is the SMILES notation for 2-amino-3-(2,3-dihydroxypropylamino)propanamide?
The canonical SMILES for 2-amino-3-(2,3-dihydroxypropylamino)propanamide is NC(=O)C(N)CNCC(O)CO.
What is the InChIKey of 2-amino-3-(2,3-dihydroxypropylamino)propanamide?
The InChIKey is YFKDZZFLZHUCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O3/c7-5(6(8)12)2-9-1-4(11)3-10/h4-5,9-11H,1-3,7H2,(H2,8,12).
What are the key properties of 2-amino-3-(2,3-dihydroxypropylamino)propanamide?
2-amino-3-(2,3-dihydroxypropylamino)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-(2,3-dihydroxypropylamino)propanamide is sourced from PubChem (CID 103256231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).