1-(carbamoylamino)propyl prop-2-enoate

C7H12N2O3 — CID 87391559

IUPAC1-(carbamoylamino)propyl prop-2-enoate
SMILESC=CC(=O)OC(CC)NC(N)=O
InChIInChI=1S/C7H12N2O3/c1-3-5(9-7(8)11)12-6(10)4-2/h4-5H,2-3H2,1H3,(H3,8,9,11)
InChIKeyJEQLHBFAXPBVCQ-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.12
Rot. Bonds4

About 1-(carbamoylamino)propyl prop-2-enoate

1-(carbamoylamino)propyl prop-2-enoate (PubChem CID 87391559) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1-(carbamoylamino)propyl prop-2-enoate.

Molecular Properties

Compound Name1-(carbamoylamino)propyl prop-2-enoate
PubChem CID87391559
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name1-(carbamoylamino)propyl prop-2-enoate
SMILESC=CC(=O)OC(CC)NC(N)=O
InChIInChI=1S/C7H12N2O3/c1-3-5(9-7(8)11)12-6(10)4-2/h4-5H,2-3H2,1H3,(H3,8,9,11)
InChIKeyJEQLHBFAXPBVCQ-UHFFFAOYSA-N
XLogP0.12
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(carbamoylamino)ethyl prop-2-enoate
CID 22146186
[(1S)-1-hydroxypropyl] prop-2-enoate
CID 88739010
1-aminopropyl prop-2-enoate;butane
CID 87190109
CID 172734708
CID 172734708
methyl 2,2-difluoro-3-prop-2-enoyloxypentanoate
CID 138566994
1-(carbamoylamino)propyl trimethyl silicate
CID 22456509
1-dimethylsilyloxybutan-2-yl prop-2-enoate
CID 173371383
(4-amino-4-ethylhexan-2-yl) prop-2-enoate
CID 175405192
1-(dimethylamino)propyl prop-2-enoate;hydrofluoride
CID 173036316
trimethyl(1-prop-2-enoyloxypropyl)azanium fluoride
CID 87225118
CID 177132586
CID 177132586
ethoxyethane;1-hydroxypropyl prop-2-enoate
CID 174930262

Frequently Asked Questions

What is the IUPAC name of 1-(carbamoylamino)propyl prop-2-enoate?
The IUPAC name of 1-(carbamoylamino)propyl prop-2-enoate (CID 87391559) is 1-(carbamoylamino)propyl prop-2-enoate.
What is the SMILES notation for 1-(carbamoylamino)propyl prop-2-enoate?
The canonical SMILES for 1-(carbamoylamino)propyl prop-2-enoate is C=CC(=O)OC(CC)NC(N)=O.
What is the InChIKey of 1-(carbamoylamino)propyl prop-2-enoate?
The InChIKey is JEQLHBFAXPBVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-3-5(9-7(8)11)12-6(10)4-2/h4-5H,2-3H2,1H3,(H3,8,9,11).
What are the key properties of 1-(carbamoylamino)propyl prop-2-enoate?
1-(carbamoylamino)propyl prop-2-enoate has a molecular weight of 172.18 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamoylamino)propyl prop-2-enoate is sourced from PubChem (CID 87391559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).