4-amino-N-cyclopropyl-3-[methyl(oxolan-3-yl)amino]butanamide

C12H23N3O2 — CID 82735649

IUPAC4-amino-N-cyclopropyl-3-[methyl(oxolan-3-yl)amino]butanamide
SMILESCN(C1CCOC1)C(CN)CC(=O)NC1CC1
InChIInChI=1S/C12H23N3O2/c1-15(10-4-5-17-8-10)11(7-13)6-12(16)14-9-2-3-9/h9-11H,2-8,13H2,1H3,(H,14,16)
InChIKeyNLKQUIYVXANJTM-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.30
Rot. Bonds6

About 4-amino-N-cyclopropyl-3-[methyl(oxolan-3-yl)amino]butanamide

4-amino-N-cyclopropyl-3-[methyl(oxolan-3-yl)amino]butanamide (PubChem CID 82735649) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-3-[methyl(oxolan-3-yl)amino]butanamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-3-[methyl(oxolan-3-yl)amino]butanamide
PubChem CID82735649
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-amino-N-cyclopropyl-3-[methyl(oxolan-3-yl)amino]butanamide
SMILESCN(C1CCOC1)C(CN)CC(=O)NC1CC1
InChIInChI=1S/C12H23N3O2/c1-15(10-4-5-17-8-10)11(7-13)6-12(16)14-9-2-3-9/h9-11H,2-8,13H2,1H3,(H,14,16)
InChIKeyNLKQUIYVXANJTM-UHFFFAOYSA-N
XLogP-0.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]butanamide
CID 66432240
4-amino-N-tert-butyl-3-[methyl(oxan-4-yl)amino]butanamide
CID 66430004
3-amino-2-[methyl(oxolan-3-yl)amino]propanoic acid
CID 82734246
4-amino-N-cyclopropyl-3-[cyclopropyl(2-methylpropyl)amino]butanamide
CID 66430186
4-amino-N-cyclopropyl-3-[methyl(3-methylbutyl)amino]butanamide
CID 66430996
4-ethylsulfanyl-2-N-methyl-2-N-(oxolan-3-yl)butane-1,2-diamine
CID 116504217
4-amino-N-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]butanamide
CID 66432647
4-amino-N-cyclopropyl-3-[ethyl(2-methylbutyl)amino]butanamide
CID 79478006
4-amino-N-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]butanamide
CID 81058816
3-methyl-N-[(3R)-oxolan-3-yl]butanamide
CID 176873242
ethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]pentanoate
CID 82735009
4-amino-N-tert-butyl-3-[cycloheptyl(methyl)amino]butanamide
CID 66430006

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-3-[methyl(oxolan-3-yl)amino]butanamide?
The IUPAC name of 4-amino-N-cyclopropyl-3-[methyl(oxolan-3-yl)amino]butanamide (CID 82735649) is 4-amino-N-cyclopropyl-3-[methyl(oxolan-3-yl)amino]butanamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-3-[methyl(oxolan-3-yl)amino]butanamide?
The canonical SMILES for 4-amino-N-cyclopropyl-3-[methyl(oxolan-3-yl)amino]butanamide is CN(C1CCOC1)C(CN)CC(=O)NC1CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-3-[methyl(oxolan-3-yl)amino]butanamide?
The InChIKey is NLKQUIYVXANJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-15(10-4-5-17-8-10)11(7-13)6-12(16)14-9-2-3-9/h9-11H,2-8,13H2,1H3,(H,14,16).
What are the key properties of 4-amino-N-cyclopropyl-3-[methyl(oxolan-3-yl)amino]butanamide?
4-amino-N-cyclopropyl-3-[methyl(oxolan-3-yl)amino]butanamide has a molecular weight of 241.33 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-3-[methyl(oxolan-3-yl)amino]butanamide is sourced from PubChem (CID 82735649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).