acetic acid;N-(3-aminopropyl)prop-2-enamide

C8H16N2O3 — CID 173132431

IUPACacetic acid;N-(3-aminopropyl)prop-2-enamide
SMILESC=CC(=O)NCCCN.CC(=O)O
InChIInChI=1S/C6H12N2O.C2H4O2/c1-2-6(9)8-5-3-4-7;1-2(3)4/h2H,1,3-5,7H2,(H,8,9);1H3,(H,3,4)
InChIKeyCAJZTIKTEDXBRM-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.27
Rot. Bonds4

About acetic acid;N-(3-aminopropyl)prop-2-enamide

acetic acid;N-(3-aminopropyl)prop-2-enamide (PubChem CID 173132431) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is acetic acid;N-(3-aminopropyl)prop-2-enamide.

Molecular Properties

Compound Nameacetic acid;N-(3-aminopropyl)prop-2-enamide
PubChem CID173132431
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nameacetic acid;N-(3-aminopropyl)prop-2-enamide
SMILESC=CC(=O)NCCCN.CC(=O)O
InChIInChI=1S/C6H12N2O.C2H4O2/c1-2-6(9)8-5-3-4-7;1-2(3)4/h2H,1,3-5,7H2,(H,8,9);1H3,(H,3,4)
InChIKeyCAJZTIKTEDXBRM-UHFFFAOYSA-N
XLogP-0.27
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)prop-2-enamide;chloromethane
CID 126509380
N-(4-aminobutyl)prop-2-enamide;hydrochloride
CID 19429106
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-(3-aminopropyl)prop-2-enamide;propane-1-sulfonic acid
CID 175014002
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-(2-aminoethyl)prop-2-enamide;N,N-dimethylmethanamine;hydrochloride
CID 173056449
4-(prop-2-enoylamino)butanamide
CID 60864661
N-butylprop-2-enamide;hydrofluoride
CID 174533496
carbonic acid;N-hexylprop-2-enamide
CID 22445987
N-(3-hydroxypropyl)prop-2-enamide
CID 87194577
N-heptadecylprop-2-enamide
CID 20727742
15-(prop-2-enoylamino)pentadecanoic acid
CID 71528159

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-(3-aminopropyl)prop-2-enamide?
The IUPAC name of acetic acid;N-(3-aminopropyl)prop-2-enamide (CID 173132431) is acetic acid;N-(3-aminopropyl)prop-2-enamide.
What is the SMILES notation for acetic acid;N-(3-aminopropyl)prop-2-enamide?
The canonical SMILES for acetic acid;N-(3-aminopropyl)prop-2-enamide is C=CC(=O)NCCCN.CC(=O)O.
What is the InChIKey of acetic acid;N-(3-aminopropyl)prop-2-enamide?
The InChIKey is CAJZTIKTEDXBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C2H4O2/c1-2-6(9)8-5-3-4-7;1-2(3)4/h2H,1,3-5,7H2,(H,8,9);1H3,(H,3,4).
What are the key properties of acetic acid;N-(3-aminopropyl)prop-2-enamide?
acetic acid;N-(3-aminopropyl)prop-2-enamide has a molecular weight of 188.23 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-(3-aminopropyl)prop-2-enamide is sourced from PubChem (CID 173132431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).