prop-1-en-2-yl N-(3-amino-3-oxopropyl)carbamate

C7H12N2O3 — CID 88901077

IUPACprop-1-en-2-yl N-(3-amino-3-oxopropyl)carbamate
SMILESC=C(C)OC(=O)NCCC(N)=O
InChIInChI=1S/C7H12N2O3/c1-5(2)12-7(11)9-4-3-6(8)10/h1,3-4H2,2H3,(H2,8,10)(H,9,11)
InChIKeyHTRMGLOZQIUPEN-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.12
Rot. Bonds4

About prop-1-en-2-yl N-(3-amino-3-oxopropyl)carbamate

prop-1-en-2-yl N-(3-amino-3-oxopropyl)carbamate (PubChem CID 88901077) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is prop-1-en-2-yl N-(3-amino-3-oxopropyl)carbamate.

Molecular Properties

Compound Nameprop-1-en-2-yl N-(3-amino-3-oxopropyl)carbamate
PubChem CID88901077
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Nameprop-1-en-2-yl N-(3-amino-3-oxopropyl)carbamate
SMILESC=C(C)OC(=O)NCCC(N)=O
InChIInChI=1S/C7H12N2O3/c1-5(2)12-7(11)9-4-3-6(8)10/h1,3-4H2,2H3,(H2,8,10)(H,9,11)
InChIKeyHTRMGLOZQIUPEN-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': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(acetyloxycarbonylamino)propanoate
CID 174888449
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide
CID 79011495
3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide
CID 176714971
3-[(2-ethoxyacetyl)amino]propanamide
CID 64591348
prop-1-en-2-yl N-[2-[(4-bromophenyl)sulfonylamino]ethyl]carbamate
CID 89104122
prop-1-en-2-yl (2S)-2-amino-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-5-oxopentanoate
CID 87111804
ethyl N-(4-methylpent-4-enyl)carbamate
CID 123482675
tert-butyl N-(3-hydroxybut-3-enyl)carbamate
CID 45091853
2-amino-N-(3-amino-3-oxopropyl)butanamide
CID 43649631
3-(3-hydroxypropanoylamino)propanamide
CID 149237763
prop-1-en-2-yl N-[(5-methylpyrimidin-2-yl)methyl]carbamate
CID 89190546
N-(3-amino-3-oxopropyl)-3-chloro-2-methylpropanamide
CID 62728851

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl N-(3-amino-3-oxopropyl)carbamate?
The IUPAC name of prop-1-en-2-yl N-(3-amino-3-oxopropyl)carbamate (CID 88901077) is prop-1-en-2-yl N-(3-amino-3-oxopropyl)carbamate.
What is the SMILES notation for prop-1-en-2-yl N-(3-amino-3-oxopropyl)carbamate?
The canonical SMILES for prop-1-en-2-yl N-(3-amino-3-oxopropyl)carbamate is C=C(C)OC(=O)NCCC(N)=O.
What is the InChIKey of prop-1-en-2-yl N-(3-amino-3-oxopropyl)carbamate?
The InChIKey is HTRMGLOZQIUPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-5(2)12-7(11)9-4-3-6(8)10/h1,3-4H2,2H3,(H2,8,10)(H,9,11).
What are the key properties of prop-1-en-2-yl N-(3-amino-3-oxopropyl)carbamate?
prop-1-en-2-yl N-(3-amino-3-oxopropyl)carbamate 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 prop-1-en-2-yl N-(3-amino-3-oxopropyl)carbamate is sourced from PubChem (CID 88901077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).