(Z)-3-amino-N-(3-hydroxypropyl)-2-(methylamino)prop-2-enamide

C7H15N3O2 — CID 143915729

IUPAC(Z)-3-amino-N-(3-hydroxypropyl)-2-(methylamino)prop-2-enamide
SMILESCN/C(=C\N)C(=O)NCCCO
InChIInChI=1S/C7H15N3O2/c1-9-6(5-8)7(12)10-3-2-4-11/h5,9,11H,2-4,8H2,1H3,(H,10,12)/b6-5-
InChIKeyLWQAMTJTTYZOAP-WAYWQWQTSA-N
MW173.22 g/mol
LogP-1.50
Rot. Bonds5

About (Z)-3-amino-N-(3-hydroxypropyl)-2-(methylamino)prop-2-enamide

(Z)-3-amino-N-(3-hydroxypropyl)-2-(methylamino)prop-2-enamide (PubChem CID 143915729) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is (Z)-3-amino-N-(3-hydroxypropyl)-2-(methylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-amino-N-(3-hydroxypropyl)-2-(methylamino)prop-2-enamide
PubChem CID143915729
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name(Z)-3-amino-N-(3-hydroxypropyl)-2-(methylamino)prop-2-enamide
SMILESCN/C(=C\N)C(=O)NCCCO
InChIInChI=1S/C7H15N3O2/c1-9-6(5-8)7(12)10-3-2-4-11/h5,9,11H,2-4,8H2,1H3,(H,10,12)/b6-5-
InChIKeyLWQAMTJTTYZOAP-WAYWQWQTSA-N
XLogP-1.50
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

2-amino-N-(1-hydroxyethyl)prop-2-enamide
CID 88037994
2-amino-N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 89205138
3,3-diamino-2-(ethylamino)-N-(3-hydroxypropyl)prop-2-enamide
CID 117794121
2-(ethylamino)-N-(3-hydroxypropyl)prop-2-enamide
CID 117794125
(Z)-3-amino-2-(methylamino)-N-propylprop-2-enamide
CID 143915728
5-(3-Hydroxypropylamino)-1,3-dimethylpyrimidine-2,4-dione
CID 175694676
5-[(3-Hydroxypropyl)amino]-1,3-dihydropyrimidine-2,4-dione
CID 19589357
2-amino-N-(2-hydroxypropyl)prop-2-enamide
CID 21721276
N-(3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 43500338
N-(3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43500339
N-(3-hydroxybutyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 64458939
N-(3-hydroxy-2-methylpropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 65037040

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N-(3-hydroxypropyl)-2-(methylamino)prop-2-enamide?
The IUPAC name of (Z)-3-amino-N-(3-hydroxypropyl)-2-(methylamino)prop-2-enamide (CID 143915729) is (Z)-3-amino-N-(3-hydroxypropyl)-2-(methylamino)prop-2-enamide.
What is the SMILES notation for (Z)-3-amino-N-(3-hydroxypropyl)-2-(methylamino)prop-2-enamide?
The canonical SMILES for (Z)-3-amino-N-(3-hydroxypropyl)-2-(methylamino)prop-2-enamide is CN/C(=C\N)C(=O)NCCCO.
What is the InChIKey of (Z)-3-amino-N-(3-hydroxypropyl)-2-(methylamino)prop-2-enamide?
The InChIKey is LWQAMTJTTYZOAP-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-9-6(5-8)7(12)10-3-2-4-11/h5,9,11H,2-4,8H2,1H3,(H,10,12)/b6-5-.
What are the key properties of (Z)-3-amino-N-(3-hydroxypropyl)-2-(methylamino)prop-2-enamide?
(Z)-3-amino-N-(3-hydroxypropyl)-2-(methylamino)prop-2-enamide has a molecular weight of 173.22 g/mol, XLogP of -1.50, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N-(3-hydroxypropyl)-2-(methylamino)prop-2-enamide is sourced from PubChem (CID 143915729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).