azane;3,4-diaminopentanoic acid

C5H15N3O2 — CID 173404371

IUPACazane;3,4-diaminopentanoic acid
SMILESCC(N)C(N)CC(=O)O.N
InChIInChI=1S/C5H12N2O2.H3N/c1-3(6)4(7)2-5(8)9;/h3-4H,2,6-7H2,1H3,(H,8,9);1H3
InChIKeyODSMYUCVFJAJIK-UHFFFAOYSA-N
MW149.19 g/mol
LogP-0.70
Rot. Bonds3

About azane;3,4-diaminopentanoic acid

azane;3,4-diaminopentanoic acid (PubChem CID 173404371) has the molecular formula C5H15N3O2 and a molecular weight of 149.19 g/mol. Its IUPAC name is azane;3,4-diaminopentanoic acid.

Molecular Properties

Compound Nameazane;3,4-diaminopentanoic acid
PubChem CID173404371
Molecular FormulaC5H15N3O2
Molecular Weight149.19 g/mol
Exact Mass149.12
IUPAC Nameazane;3,4-diaminopentanoic acid
SMILESCC(N)C(N)CC(=O)O.N
InChIInChI=1S/C5H12N2O2.H3N/c1-3(6)4(7)2-5(8)9;/h3-4H,2,6-7H2,1H3,(H,8,9);1H3
InChIKeyODSMYUCVFJAJIK-UHFFFAOYSA-N
XLogP-0.70
TPSA124.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

sodium;3,4-diaminopentanoic acid;hydride;iron
CID 173404535
3-amino-5-ethyl-4-methylheptanoic acid
CID 11735605
3-amino-4-sulfanylpentanoic acid
CID 57282100
3-amino-4,5,6-trimethylheptanoic acid
CID 11367460
(3S)-3-aminobutanoic acid;hydrochloride
CID 2761505
(3S)-3-amino-4-ethylhexanoic acid
CID 738112
2-aminobutanedioic acid;bis(2-aminopropanoic acid)
CID 154929079
(3R)-3-amino-4-ethylhexanoic acid
CID 738110
3-amino-4-ethylhexanoic acid
CID 2733734
(3S,4S)-3-amino-4-propan-2-yloxypentanoic acid
CID 72548057
3-amino-4,5-diethyl-6-methylheptanoic acid
CID 11321870
3-amino-4,6,6-trimethylheptanoic acid
CID 83907086

Frequently Asked Questions

What is the IUPAC name of azane;3,4-diaminopentanoic acid?
The IUPAC name of azane;3,4-diaminopentanoic acid (CID 173404371) is azane;3,4-diaminopentanoic acid.
What is the SMILES notation for azane;3,4-diaminopentanoic acid?
The canonical SMILES for azane;3,4-diaminopentanoic acid is CC(N)C(N)CC(=O)O.N.
What is the InChIKey of azane;3,4-diaminopentanoic acid?
The InChIKey is ODSMYUCVFJAJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2.H3N/c1-3(6)4(7)2-5(8)9;/h3-4H,2,6-7H2,1H3,(H,8,9);1H3.
What are the key properties of azane;3,4-diaminopentanoic acid?
azane;3,4-diaminopentanoic acid has a molecular weight of 149.19 g/mol, XLogP of -0.70, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3,4-diaminopentanoic acid is sourced from PubChem (CID 173404371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).