prop-2-enyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate

C7H12N2O3 — CID 15658631

IUPACprop-2-enyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
SMILESC=CCOC(=O)N[C@@H](C)C(N)=O
InChIInChI=1S/C7H12N2O3/c1-3-4-12-7(11)9-5(2)6(8)10/h3,5H,1,4H2,2H3,(H2,8,10)(H,9,11)/t5-/m0/s1
InChIKeyCSYQAXDKROSIGC-YFKPBYRVSA-N
MW172.18 g/mol
LogP-0.23
Rot. Bonds4

About prop-2-enyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate

prop-2-enyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate (PubChem CID 15658631) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is prop-2-enyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
PubChem CID15658631
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Nameprop-2-enyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
SMILESC=CCOC(=O)N[C@@H](C)C(N)=O
InChIInChI=1S/C7H12N2O3/c1-3-4-12-7(11)9-5(2)6(8)10/h3,5H,1,4H2,2H3,(H2,8,10)(H,9,11)/t5-/m0/s1
InChIKeyCSYQAXDKROSIGC-YFKPBYRVSA-N
XLogP-0.23
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 ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate?
The IUPAC name of prop-2-enyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate (CID 15658631) is prop-2-enyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for prop-2-enyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate?
The canonical SMILES for prop-2-enyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate is C=CCOC(=O)N[C@@H](C)C(N)=O.
What is the InChIKey of prop-2-enyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate?
The InChIKey is CSYQAXDKROSIGC-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-3-4-12-7(11)9-5(2)6(8)10/h3,5H,1,4H2,2H3,(H2,8,10)(H,9,11)/t5-/m0/s1.
What are the key properties of prop-2-enyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate?
prop-2-enyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate has a molecular weight of 172.18 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 15658631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).