3-amino-3-(aminomethyl)-4-hydroxypentanoic acid

C6H14N2O3 — CID 18940164

IUPAC3-amino-3-(aminomethyl)-4-hydroxypentanoic acid
SMILESCC(O)C(N)(CN)CC(=O)O
InChIInChI=1S/C6H14N2O3/c1-4(9)6(8,3-7)2-5(10)11/h4,9H,2-3,7-8H2,1H3,(H,10,11)
InChIKeyQCTCNZRUPGMVLH-UHFFFAOYSA-N
MW162.19 g/mol
LogP-1.50
Rot. Bonds4

About 3-amino-3-(aminomethyl)-4-hydroxypentanoic acid

3-amino-3-(aminomethyl)-4-hydroxypentanoic acid (PubChem CID 18940164) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-amino-3-(aminomethyl)-4-hydroxypentanoic acid.

Molecular Properties

Compound Name3-amino-3-(aminomethyl)-4-hydroxypentanoic acid
PubChem CID18940164
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name3-amino-3-(aminomethyl)-4-hydroxypentanoic acid
SMILESCC(O)C(N)(CN)CC(=O)O
InChIInChI=1S/C6H14N2O3/c1-4(9)6(8,3-7)2-5(10)11/h4,9H,2-3,7-8H2,1H3,(H,10,11)
InChIKeyQCTCNZRUPGMVLH-UHFFFAOYSA-N
XLogP-1.50
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(aminomethyl)-4-hydroxypentanoic acid?
The IUPAC name of 3-amino-3-(aminomethyl)-4-hydroxypentanoic acid (CID 18940164) is 3-amino-3-(aminomethyl)-4-hydroxypentanoic acid.
What is the SMILES notation for 3-amino-3-(aminomethyl)-4-hydroxypentanoic acid?
The canonical SMILES for 3-amino-3-(aminomethyl)-4-hydroxypentanoic acid is CC(O)C(N)(CN)CC(=O)O.
What is the InChIKey of 3-amino-3-(aminomethyl)-4-hydroxypentanoic acid?
The InChIKey is QCTCNZRUPGMVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c1-4(9)6(8,3-7)2-5(10)11/h4,9H,2-3,7-8H2,1H3,(H,10,11).
What are the key properties of 3-amino-3-(aminomethyl)-4-hydroxypentanoic acid?
3-amino-3-(aminomethyl)-4-hydroxypentanoic acid has a molecular weight of 162.19 g/mol, XLogP of -1.50, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(aminomethyl)-4-hydroxypentanoic acid is sourced from PubChem (CID 18940164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).