3-amino-1-(2-methylcyclopropyl)butan-2-one

C8H15NO — CID 165471474

IUPAC3-amino-1-(2-methylcyclopropyl)butan-2-one
SMILESCC(N)C(=O)CC1CC1C
InChIInChI=1S/C8H15NO/c1-5-3-7(5)4-8(10)6(2)9/h5-7H,3-4,9H2,1-2H3
InChIKeySHDSHNOTBWVQDV-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.95
Rot. Bonds3

About 3-amino-1-(2-methylcyclopropyl)butan-2-one

3-amino-1-(2-methylcyclopropyl)butan-2-one (PubChem CID 165471474) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-amino-1-(2-methylcyclopropyl)butan-2-one.

Molecular Properties

Compound Name3-amino-1-(2-methylcyclopropyl)butan-2-one
PubChem CID165471474
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-amino-1-(2-methylcyclopropyl)butan-2-one
SMILESCC(N)C(=O)CC1CC1C
InChIInChI=1S/C8H15NO/c1-5-3-7(5)4-8(10)6(2)9/h5-7H,3-4,9H2,1-2H3
InChIKeySHDSHNOTBWVQDV-UHFFFAOYSA-N
XLogP0.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-1-cyclopropylbutan-2-one
CID 96732436
2-[(1S,2R)-2-methylcyclopropyl]acetamide
CID 93476800
1,3-diaminobutan-2-one
CID 18683672
2-aminopentan-3-one
CID 10986165
3-methyl-4-(2-methylcyclopropyl)butan-2-one
CID 91382640
(2R)-2-amino-N-(2-methylcyclopropyl)propanamide
CID 62398561
2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]pentanamide
CID 115738399
4-amino-3-oxopentanoic acid
CID 134247354
(2S)-2-amino-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pentanamide
CID 63865558
(4S)-4-amino-3-oxopentanamide
CID 23519305
(2S)-2-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107418588
2-[[2-amino-3-(2-methylcyclopropyl)propanoyl]amino]acetic acid
CID 163695583

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methylcyclopropyl)butan-2-one?
The IUPAC name of 3-amino-1-(2-methylcyclopropyl)butan-2-one (CID 165471474) is 3-amino-1-(2-methylcyclopropyl)butan-2-one.
What is the SMILES notation for 3-amino-1-(2-methylcyclopropyl)butan-2-one?
The canonical SMILES for 3-amino-1-(2-methylcyclopropyl)butan-2-one is CC(N)C(=O)CC1CC1C.
What is the InChIKey of 3-amino-1-(2-methylcyclopropyl)butan-2-one?
The InChIKey is SHDSHNOTBWVQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-3-7(5)4-8(10)6(2)9/h5-7H,3-4,9H2,1-2H3.
What are the key properties of 3-amino-1-(2-methylcyclopropyl)butan-2-one?
3-amino-1-(2-methylcyclopropyl)butan-2-one has a molecular weight of 141.21 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methylcyclopropyl)butan-2-one is sourced from PubChem (CID 165471474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).