4-amino-2-[2-aminoethyl(prop-2-enyl)amino]butanoic acid

C9H19N3O2 — CID 87059533

IUPAC4-amino-2-[2-aminoethyl(prop-2-enyl)amino]butanoic acid
SMILESC=CCN(CCN)C(CCN)C(=O)O
InChIInChI=1S/C9H19N3O2/c1-2-6-12(7-5-11)8(3-4-10)9(13)14/h2,8H,1,3-7,10-11H2,(H,13,14)
InChIKeyWQVQWOLXFCQADU-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.76
Rot. Bonds8

About 4-amino-2-[2-aminoethyl(prop-2-enyl)amino]butanoic acid

4-amino-2-[2-aminoethyl(prop-2-enyl)amino]butanoic acid (PubChem CID 87059533) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-amino-2-[2-aminoethyl(prop-2-enyl)amino]butanoic acid.

Molecular Properties

Compound Name4-amino-2-[2-aminoethyl(prop-2-enyl)amino]butanoic acid
PubChem CID87059533
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name4-amino-2-[2-aminoethyl(prop-2-enyl)amino]butanoic acid
SMILESC=CCN(CCN)C(CCN)C(=O)O
InChIInChI=1S/C9H19N3O2/c1-2-6-12(7-5-11)8(3-4-10)9(13)14/h2,8H,1,3-7,10-11H2,(H,13,14)
InChIKeyWQVQWOLXFCQADU-UHFFFAOYSA-N
XLogP-0.76
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4-(2,5-dihydropyrrol-1-yl)butanoic acid
CID 69405467
2-[Bis(2-aminoethyl)amino]pent-4-enoic acid
CID 87084461
2-[Bis(2-aminoethyl)amino]pent-4-enoic acid;hydrochloride
CID 87276238
3-Amino-4-[bis(prop-2-enyl)amino]butanoic acid
CID 87569151
3-(Dimethylamino)-4-(prop-2-enylamino)butanoic acid
CID 88169968
4-(Prop-2-enylamino)-2-(trimethylazaniumyl)butanoate
CID 88332280
2-Amino-4-(but-3-enylamino)butanoic acid
CID 168931467
CID 173395038
CID 173395038
2-[3-Aminopropyl(prop-2-enyl)amino]pentanedioic acid
CID 174550359
2-(Dimethylamino)-4-(prop-2-enylamino)butanoic acid
CID 175097656
2-(Dimethylamino)-3-(prop-2-enylamino)butanoic acid
CID 175097657
(2S)-4-amino-2-(prop-2-enylamino)butanoic acid
CID 176000513

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-aminoethyl(prop-2-enyl)amino]butanoic acid?
The IUPAC name of 4-amino-2-[2-aminoethyl(prop-2-enyl)amino]butanoic acid (CID 87059533) is 4-amino-2-[2-aminoethyl(prop-2-enyl)amino]butanoic acid.
What is the SMILES notation for 4-amino-2-[2-aminoethyl(prop-2-enyl)amino]butanoic acid?
The canonical SMILES for 4-amino-2-[2-aminoethyl(prop-2-enyl)amino]butanoic acid is C=CCN(CCN)C(CCN)C(=O)O.
What is the InChIKey of 4-amino-2-[2-aminoethyl(prop-2-enyl)amino]butanoic acid?
The InChIKey is WQVQWOLXFCQADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-2-6-12(7-5-11)8(3-4-10)9(13)14/h2,8H,1,3-7,10-11H2,(H,13,14).
What are the key properties of 4-amino-2-[2-aminoethyl(prop-2-enyl)amino]butanoic acid?
4-amino-2-[2-aminoethyl(prop-2-enyl)amino]butanoic acid has a molecular weight of 201.27 g/mol, XLogP of -0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-aminoethyl(prop-2-enyl)amino]butanoic acid is sourced from PubChem (CID 87059533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).