ethane-1,2-diamine;2-hydroxypropanoyl 4-aminobutanoate

C9H21N3O4 — CID 174737474

IUPACethane-1,2-diamine;2-hydroxypropanoyl 4-aminobutanoate
SMILESCC(O)C(=O)OC(=O)CCCN.NCCN
InChIInChI=1S/C7H13NO4.C2H8N2/c1-5(9)7(11)12-6(10)3-2-4-8;3-1-2-4/h5,9H,2-4,8H2,1H3;1-4H2
InChIKeyRJQAXURVVJIKIE-UHFFFAOYSA-N
MW235.28 g/mol
LogP-1.92
Rot. Bonds5

About ethane-1,2-diamine;2-hydroxypropanoyl 4-aminobutanoate

ethane-1,2-diamine;2-hydroxypropanoyl 4-aminobutanoate (PubChem CID 174737474) has the molecular formula C9H21N3O4 and a molecular weight of 235.28 g/mol. Its IUPAC name is ethane-1,2-diamine;2-hydroxypropanoyl 4-aminobutanoate.

Molecular Properties

Compound Nameethane-1,2-diamine;2-hydroxypropanoyl 4-aminobutanoate
PubChem CID174737474
Molecular FormulaC9H21N3O4
Molecular Weight235.28 g/mol
Exact Mass235.15
IUPAC Nameethane-1,2-diamine;2-hydroxypropanoyl 4-aminobutanoate
SMILESCC(O)C(=O)OC(=O)CCCN.NCCN
InChIInChI=1S/C7H13NO4.C2H8N2/c1-5(9)7(11)12-6(10)3-2-4-8;3-1-2-4/h5,9H,2-4,8H2,1H3;1-4H2
InChIKeyRJQAXURVVJIKIE-UHFFFAOYSA-N
XLogP-1.92
TPSA141.66 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-1.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-hydroxypropanoyl dodecanoate;zinc
CID 174374656
CID 172741871
CID 172741871
2-hydroxypropanoyl octadecanoate;hydrate
CID 172849458
CID 87243127
CID 87243127
CID 172853270
CID 172853270
sodium;hydride;2-hydroxypropanoyl hexanoate
CID 173099387
(2-aminoacetyl) 2-hydroxypropanoate
CID 87499262
(2-aminoacetyl) 2-hydroxypropanoate;copper
CID 87635817
2-hydroxypropanoyl 4-(2-hydroxypropanoylperoxy)-4-oxobutanoate
CID 154267844
4-aminobutanoyl (2R)-2,5-diaminopentanoate
CID 174727380
disodium;bis(4-aminobutanoyl) (E)-but-2-enedioate;hydride
CID 174881927
9-aminononanoyl 12-aminododecanoate
CID 88667925

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;2-hydroxypropanoyl 4-aminobutanoate?
The IUPAC name of ethane-1,2-diamine;2-hydroxypropanoyl 4-aminobutanoate (CID 174737474) is ethane-1,2-diamine;2-hydroxypropanoyl 4-aminobutanoate.
What is the SMILES notation for ethane-1,2-diamine;2-hydroxypropanoyl 4-aminobutanoate?
The canonical SMILES for ethane-1,2-diamine;2-hydroxypropanoyl 4-aminobutanoate is CC(O)C(=O)OC(=O)CCCN.NCCN.
What is the InChIKey of ethane-1,2-diamine;2-hydroxypropanoyl 4-aminobutanoate?
The InChIKey is RJQAXURVVJIKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4.C2H8N2/c1-5(9)7(11)12-6(10)3-2-4-8;3-1-2-4/h5,9H,2-4,8H2,1H3;1-4H2.
What are the key properties of ethane-1,2-diamine;2-hydroxypropanoyl 4-aminobutanoate?
ethane-1,2-diamine;2-hydroxypropanoyl 4-aminobutanoate has a molecular weight of 235.28 g/mol, XLogP of -1.92, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;2-hydroxypropanoyl 4-aminobutanoate is sourced from PubChem (CID 174737474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).