(E)-3-(pent-4-en-2-ylamino)prop-2-enoic acid

C8H13NO2 — CID 103265682

IUPAC(E)-3-(pent-4-en-2-ylamino)prop-2-enoic acid
SMILESC=CCC(C)N/C=C/C(=O)O
InChIInChI=1S/C8H13NO2/c1-3-4-7(2)9-6-5-8(10)11/h3,5-7,9H,1,4H2,2H3,(H,10,11)/b6-5+
InChIKeyHVCPSKAVILLURM-AATRIKPKSA-N
MW155.20 g/mol
LogP1.14
Rot. Bonds5

About (E)-3-(pent-4-en-2-ylamino)prop-2-enoic acid

(E)-3-(pent-4-en-2-ylamino)prop-2-enoic acid (PubChem CID 103265682) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (E)-3-(pent-4-en-2-ylamino)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(pent-4-en-2-ylamino)prop-2-enoic acid
PubChem CID103265682
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(E)-3-(pent-4-en-2-ylamino)prop-2-enoic acid
SMILESC=CCC(C)N/C=C/C(=O)O
InChIInChI=1S/C8H13NO2/c1-3-4-7(2)9-6-5-8(10)11/h3,5-7,9H,1,4H2,2H3,(H,10,11)/b6-5+
InChIKeyHVCPSKAVILLURM-AATRIKPKSA-N
XLogP1.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(but-3-en-2-ylamino)prop-2-enoic acid
CID 103264943
(E)-3-(pent-4-yn-2-ylamino)prop-2-enoic acid
CID 103266015
pent-4-en-2-ylcarbamic acid
CID 146626901
(E)-3-[4-(dimethylamino)butan-2-ylamino]prop-2-enoic acid
CID 103246575
(2E)-2-[(pent-4-en-2-ylamino)methylidene]but-3-enoic acid
CID 148508580
4-methylhepta-2,6-dienoic acid
CID 123607563
(E)-3-[5-(diethylamino)pentan-2-ylamino]prop-2-enoic acid
CID 103233776
(E)-3-(1,1,1-trifluoropropan-2-ylamino)prop-2-enoic acid
CID 131242265
(E)-3-(but-3-yn-2-ylamino)prop-2-enoic acid
CID 103267119
(E)-3-[(1-methoxy-1-oxopropan-2-yl)amino]prop-2-enoic acid
CID 103245347
(E)-3-[(1-methoxy-3-methylbutan-2-yl)amino]prop-2-enoic acid
CID 103254055
3-hydroxy-4-(pent-4-en-2-ylamino)butanoic acid
CID 103265692

Frequently Asked Questions

What is the IUPAC name of (E)-3-(pent-4-en-2-ylamino)prop-2-enoic acid?
The IUPAC name of (E)-3-(pent-4-en-2-ylamino)prop-2-enoic acid (CID 103265682) is (E)-3-(pent-4-en-2-ylamino)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(pent-4-en-2-ylamino)prop-2-enoic acid?
The canonical SMILES for (E)-3-(pent-4-en-2-ylamino)prop-2-enoic acid is C=CCC(C)N/C=C/C(=O)O.
What is the InChIKey of (E)-3-(pent-4-en-2-ylamino)prop-2-enoic acid?
The InChIKey is HVCPSKAVILLURM-AATRIKPKSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-4-7(2)9-6-5-8(10)11/h3,5-7,9H,1,4H2,2H3,(H,10,11)/b6-5+.
What are the key properties of (E)-3-(pent-4-en-2-ylamino)prop-2-enoic acid?
(E)-3-(pent-4-en-2-ylamino)prop-2-enoic acid has a molecular weight of 155.20 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(pent-4-en-2-ylamino)prop-2-enoic acid is sourced from PubChem (CID 103265682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).