(E)-3-(1-aminocyclopropyl)prop-2-enoic acid

C6H9NO2 — CID 6438535

IUPAC(E)-3-(1-aminocyclopropyl)prop-2-enoic acid
SMILESNC1(/C=C/C(=O)O)CC1
InChIInChI=1S/C6H9NO2/c7-6(3-4-6)2-1-5(8)9/h1-2H,3-4,7H2,(H,8,9)/b2-1+
InChIKeyZVPGNTVIPBYUKE-OWOJBTEDSA-N
MW127.14 g/mol
LogP0.12
Rot. Bonds2

About (E)-3-(1-aminocyclopropyl)prop-2-enoic acid

(E)-3-(1-aminocyclopropyl)prop-2-enoic acid (PubChem CID 6438535) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (E)-3-(1-aminocyclopropyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(1-aminocyclopropyl)prop-2-enoic acid
PubChem CID6438535
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(E)-3-(1-aminocyclopropyl)prop-2-enoic acid
SMILESNC1(/C=C/C(=O)O)CC1
InChIInChI=1S/C6H9NO2/c7-6(3-4-6)2-1-5(8)9/h1-2H,3-4,7H2,(H,8,9)/b2-1+
InChIKeyZVPGNTVIPBYUKE-OWOJBTEDSA-N
XLogP0.12
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-aminocyclopropyl)prop-2-enoic acid?
The IUPAC name of (E)-3-(1-aminocyclopropyl)prop-2-enoic acid (CID 6438535) is (E)-3-(1-aminocyclopropyl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(1-aminocyclopropyl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(1-aminocyclopropyl)prop-2-enoic acid is NC1(/C=C/C(=O)O)CC1.
What is the InChIKey of (E)-3-(1-aminocyclopropyl)prop-2-enoic acid?
The InChIKey is ZVPGNTVIPBYUKE-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H9NO2/c7-6(3-4-6)2-1-5(8)9/h1-2H,3-4,7H2,(H,8,9)/b2-1+.
What are the key properties of (E)-3-(1-aminocyclopropyl)prop-2-enoic acid?
(E)-3-(1-aminocyclopropyl)prop-2-enoic acid has a molecular weight of 127.14 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-aminocyclopropyl)prop-2-enoic acid is sourced from PubChem (CID 6438535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).