1-amino-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-one

C7H13NO3 — CID 117273611

IUPAC1-amino-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-one
SMILESCC(=O)C(N)C1(C)OCCO1
InChIInChI=1S/C7H13NO3/c1-5(9)6(8)7(2)10-3-4-11-7/h6H,3-4,8H2,1-2H3
InChIKeyWUEYRSQCMFJEOO-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.33
Rot. Bonds2

About 1-amino-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-one

1-amino-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-one (PubChem CID 117273611) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 1-amino-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-one.

Molecular Properties

Compound Name1-amino-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-one
PubChem CID117273611
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name1-amino-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-one
SMILESCC(=O)C(N)C1(C)OCCO1
InChIInChI=1S/C7H13NO3/c1-5(9)6(8)7(2)10-3-4-11-7/h6H,3-4,8H2,1-2H3
InChIKeyWUEYRSQCMFJEOO-UHFFFAOYSA-N
XLogP-0.33
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-1-[(2R)-2-methyloxiran-2-yl]butan-1-one
CID 87415294
2,2-dichloro-1-(2-methyl-1,3-dioxolan-2-yl)ethanone
CID 21471052
2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enal
CID 89008866
1,1-diaminopropan-2-one;dihydrochloride
CID 21126739
2-(2-methyl-1,3-dioxolan-2-yl)-1-pyrrolidin-1-ylpent-4-en-1-one
CID 70658479
ethyl (2R)-2-(2-methyl-1,3-dioxolan-2-yl)-2-phenylacetate
CID 86338343
2-(2-methyl-1,3-dioxolan-2-yl)butan-1-ol
CID 59735081
2-[1-(1-amino-2-oxopropyl)cyclohexyl]acetic acid
CID 70185847
diethyl 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propanedioate
CID 131876842
2,2-dimethyl-1,3-dioxolane;formic acid
CID 142542540
4a,8a-dimethyl-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-b][1,4]dioxine
CID 11137610
(2S)-2-(2-methyl-1,3-dioxolan-2-yl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 135151706

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-one?
The IUPAC name of 1-amino-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-one (CID 117273611) is 1-amino-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-one.
What is the SMILES notation for 1-amino-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-one?
The canonical SMILES for 1-amino-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-one is CC(=O)C(N)C1(C)OCCO1.
What is the InChIKey of 1-amino-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-one?
The InChIKey is WUEYRSQCMFJEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(9)6(8)7(2)10-3-4-11-7/h6H,3-4,8H2,1-2H3.
What are the key properties of 1-amino-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-one?
1-amino-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-one has a molecular weight of 159.18 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-one is sourced from PubChem (CID 117273611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).