2-methyl-2-[(2-oxooxolan-3-yl)amino]propanal

C8H13NO3 — CID 144540699

IUPAC2-methyl-2-[(2-oxooxolan-3-yl)amino]propanal
SMILESCC(C)(C=O)NC1CCOC1=O
InChIInChI=1S/C8H13NO3/c1-8(2,5-10)9-6-3-4-12-7(6)11/h5-6,9H,3-4H2,1-2H3
InChIKeySHHAZVUBCDAPOU-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.13
Rot. Bonds3

About 2-methyl-2-[(2-oxooxolan-3-yl)amino]propanal

2-methyl-2-[(2-oxooxolan-3-yl)amino]propanal (PubChem CID 144540699) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-methyl-2-[(2-oxooxolan-3-yl)amino]propanal.

Molecular Properties

Compound Name2-methyl-2-[(2-oxooxolan-3-yl)amino]propanal
PubChem CID144540699
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-methyl-2-[(2-oxooxolan-3-yl)amino]propanal
SMILESCC(C)(C=O)NC1CCOC1=O
InChIInChI=1S/C8H13NO3/c1-8(2,5-10)9-6-3-4-12-7(6)11/h5-6,9H,3-4H2,1-2H3
InChIKeySHHAZVUBCDAPOU-UHFFFAOYSA-N
XLogP-0.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 90143310
CID 90143310
3-(bromoamino)oxolan-2-one
CID 59414203
tert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate
CID 688318
3-amino-2,2,3-trimethyl-N-(2-oxooxolan-3-yl)butanamide
CID 142101132
2-methyl-N-(2-oxooxolan-3-yl)propanamide
CID 23020667
N-(2-oxooxolan-3-yl)pentanamide
CID 11513883
3-(1,4-dioxaspiro[4.4]nonan-8-ylamino)oxolan-2-one
CID 131160483
3-(1-cyclopentylethylamino)oxolan-2-one
CID 130701461
2-[(2-oxooxolan-3-yl)amino]propanoic acid
CID 14819286
4-oxo-4-[[(3S)-2-oxooxolan-3-yl]amino]but-2-enoic acid
CID 91335090
3-(heptan-4-ylamino)oxolan-2-one
CID 43824129
N-(2-oxooxolan-3-yl)but-2-ynamide
CID 100916282

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-oxooxolan-3-yl)amino]propanal?
The IUPAC name of 2-methyl-2-[(2-oxooxolan-3-yl)amino]propanal (CID 144540699) is 2-methyl-2-[(2-oxooxolan-3-yl)amino]propanal.
What is the SMILES notation for 2-methyl-2-[(2-oxooxolan-3-yl)amino]propanal?
The canonical SMILES for 2-methyl-2-[(2-oxooxolan-3-yl)amino]propanal is CC(C)(C=O)NC1CCOC1=O.
What is the InChIKey of 2-methyl-2-[(2-oxooxolan-3-yl)amino]propanal?
The InChIKey is SHHAZVUBCDAPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-8(2,5-10)9-6-3-4-12-7(6)11/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 2-methyl-2-[(2-oxooxolan-3-yl)amino]propanal?
2-methyl-2-[(2-oxooxolan-3-yl)amino]propanal has a molecular weight of 171.20 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-oxooxolan-3-yl)amino]propanal is sourced from PubChem (CID 144540699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).