N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-(prop-2-enylamino)acetic acid

C14H24N2O2 — CID 87105461

IUPACN,N-bis(prop-2-enyl)prop-2-en-1-amine;2-(prop-2-enylamino)acetic acid
SMILESC=CCN(CC=C)CC=C.C=CCNCC(=O)O
InChIInChI=1S/C9H15N.C5H9NO2/c1-4-7-10(8-5-2)9-6-3;1-2-3-6-4-5(7)8/h4-6H,1-3,7-9H2;2,6H,1,3-4H2,(H,7,8)
InChIKeyUMBBUQDUUXIHNM-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.69
Rot. Bonds10

About N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-(prop-2-enylamino)acetic acid

N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-(prop-2-enylamino)acetic acid (PubChem CID 87105461) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-(prop-2-enylamino)acetic acid.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)prop-2-en-1-amine;2-(prop-2-enylamino)acetic acid
PubChem CID87105461
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN,N-bis(prop-2-enyl)prop-2-en-1-amine;2-(prop-2-enylamino)acetic acid
SMILESC=CCN(CC=C)CC=C.C=CCNCC(=O)O
InChIInChI=1S/C9H15N.C5H9NO2/c1-4-7-10(8-5-2)9-6-3;1-2-3-6-4-5(7)8/h4-6H,1-3,7-9H2;2,6H,1,3-4H2,(H,7,8)
InChIKeyUMBBUQDUUXIHNM-UHFFFAOYSA-N
XLogP1.69
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Allylglycine
CID 76651
CID 36690796
CID 36690796
Diallylglycine
CID 20458556
Diallylammonioethanoate
CID 42232764
N-But-2-en-1-ylglycine
CID 53407996
cis-Crotylglycine
CID 87168838
Allylglycin-hydrobromid
CID 129648695
Carboxymethyl(prop-2-enyl)azanium
CID 134844890
2-(Allylamino)acetic acid hydrochloride
CID 19364742
2-[[(E)-but-2-enyl]amino]acetic acid;hydrochloride
CID 19364761
Crotyl glycine
CID 19364762
2-[[(2E,4E)-hexa-2,4-dienyl]amino]acetic acid
CID 19790354

Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-(prop-2-enylamino)acetic acid?
The IUPAC name of N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-(prop-2-enylamino)acetic acid (CID 87105461) is N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-(prop-2-enylamino)acetic acid.
What is the SMILES notation for N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-(prop-2-enylamino)acetic acid?
The canonical SMILES for N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-(prop-2-enylamino)acetic acid is C=CCN(CC=C)CC=C.C=CCNCC(=O)O.
What is the InChIKey of N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-(prop-2-enylamino)acetic acid?
The InChIKey is UMBBUQDUUXIHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.C5H9NO2/c1-4-7-10(8-5-2)9-6-3;1-2-3-6-4-5(7)8/h4-6H,1-3,7-9H2;2,6H,1,3-4H2,(H,7,8).
What are the key properties of N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-(prop-2-enylamino)acetic acid?
N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-(prop-2-enylamino)acetic acid has a molecular weight of 252.36 g/mol, XLogP of 1.69, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-(prop-2-enylamino)acetic acid is sourced from PubChem (CID 87105461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).