2-(ethylamino)acetic acid;prop-2-en-1-amine

C7H16N2O2 — CID 88933155

IUPAC2-(ethylamino)acetic acid;prop-2-en-1-amine
SMILESC=CCN.CCNCC(=O)O
InChIInChI=1S/C4H9NO2.C3H7N/c1-2-5-3-4(6)7;1-2-3-4/h5H,2-3H2,1H3,(H,6,7);2H,1,3-4H2
InChIKeyLANGQWKLRZAHTF-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.19
Rot. Bonds4

About 2-(ethylamino)acetic acid;prop-2-en-1-amine

2-(ethylamino)acetic acid;prop-2-en-1-amine (PubChem CID 88933155) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-(ethylamino)acetic acid;prop-2-en-1-amine.

Molecular Properties

Compound Name2-(ethylamino)acetic acid;prop-2-en-1-amine
PubChem CID88933155
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name2-(ethylamino)acetic acid;prop-2-en-1-amine
SMILESC=CCN.CCNCC(=O)O
InChIInChI=1S/C4H9NO2.C3H7N/c1-2-5-3-4(6)7;1-2-3-4/h5H,2-3H2,1H3,(H,6,7);2H,1,3-4H2
InChIKeyLANGQWKLRZAHTF-UHFFFAOYSA-N
XLogP-0.19
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine
CID 173127954
2-(carboxymethylamino)acetic acid
CID 8897
ethanol;N-ethylethanamine;prop-2-enoic acid
CID 174573072
but-1-ene;urea
CID 87757370
acetic acid;but-1-ene
CID 88520349
ethanesulfonic acid;prop-2-en-1-amine
CID 87401120
2-(carboxymethylamino)acetic acid;cobalt
CID 87306494
2-[bis(prop-2-enyl)phosphorylmethylamino]acetic acid
CID 87825468
3-aminopropanoic acid;propanoic acid;prop-1-ene
CID 88933122
ethenamine;(E)-N-ethyl-2-methylbut-2-en-1-amine;methanol
CID 143707502
N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride
CID 174712757
but-1-ene;carbamoylurea
CID 174833277

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)acetic acid;prop-2-en-1-amine?
The IUPAC name of 2-(ethylamino)acetic acid;prop-2-en-1-amine (CID 88933155) is 2-(ethylamino)acetic acid;prop-2-en-1-amine.
What is the SMILES notation for 2-(ethylamino)acetic acid;prop-2-en-1-amine?
The canonical SMILES for 2-(ethylamino)acetic acid;prop-2-en-1-amine is C=CCN.CCNCC(=O)O.
What is the InChIKey of 2-(ethylamino)acetic acid;prop-2-en-1-amine?
The InChIKey is LANGQWKLRZAHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.C3H7N/c1-2-5-3-4(6)7;1-2-3-4/h5H,2-3H2,1H3,(H,6,7);2H,1,3-4H2.
What are the key properties of 2-(ethylamino)acetic acid;prop-2-en-1-amine?
2-(ethylamino)acetic acid;prop-2-en-1-amine has a molecular weight of 160.22 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)acetic acid;prop-2-en-1-amine is sourced from PubChem (CID 88933155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).