3-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]butanamide

C10H20N2O3 — CID 107389487

IUPAC3-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]butanamide
SMILESCC(N)CC(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C10H20N2O3/c1-7(11)4-9(13)12-5-8-6-14-10(2,3)15-8/h7-8H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyXKGKHCYDSKFHNV-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.01
Rot. Bonds4

About 3-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]butanamide

3-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]butanamide (PubChem CID 107389487) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]butanamide
PubChem CID107389487
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]butanamide
SMILESCC(N)CC(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C10H20N2O3/c1-7(11)4-9(13)12-5-8-6-14-10(2,3)15-8/h7-8H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyXKGKHCYDSKFHNV-UHFFFAOYSA-N
XLogP-0.01
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4,4-trifluorobutanamide
CID 103800439
(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,5,9-triazacyclotridecan-4-one
CID 11066503
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide
CID 53434813
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylbutanamide
CID 57594952
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide
CID 58758960
N-[[5-(acetamidomethyl)-1,3-dioxolan-4-yl]methyl]acetamide
CID 67194368
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanamide
CID 67582877
4-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]-1,4-diazepan-5-one
CID 68683525
(4R,5S)-5-(aminomethyl)-N-propan-2-yl-1,3-dioxolane-4-carboxamide
CID 69166950
(4S,5S)-2,2,5-trimethyl-N-propan-2-yl-1,3-dioxolane-4-carboxamide
CID 89855721
2,2,5-trimethyl-N-propan-2-yl-1,3-dioxolane-4-carboxamide
CID 89856755
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]butanamide
CID 110359257

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]butanamide?
The IUPAC name of 3-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]butanamide (CID 107389487) is 3-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]butanamide.
What is the SMILES notation for 3-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]butanamide?
The canonical SMILES for 3-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]butanamide is CC(N)CC(=O)NCC1COC(C)(C)O1.
What is the InChIKey of 3-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]butanamide?
The InChIKey is XKGKHCYDSKFHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(11)4-9(13)12-5-8-6-14-10(2,3)15-8/h7-8H,4-6,11H2,1-3H3,(H,12,13).
What are the key properties of 3-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]butanamide?
3-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]butanamide has a molecular weight of 216.28 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]butanamide is sourced from PubChem (CID 107389487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).