2-amino-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-N-propan-2-ylacetamide

C11H23N3O — CID 96553388

IUPAC2-amino-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(C[C@H]1CCN(C)C1)C(=O)CN
InChIInChI=1S/C11H23N3O/c1-9(2)14(11(15)6-12)8-10-4-5-13(3)7-10/h9-10H,4-8,12H2,1-3H3/t10-/m0/s1
InChIKeyVZLPWAURGYKFNC-JTQLQIEISA-N
MW213.32 g/mol
LogP0.13
Rot. Bonds4

About 2-amino-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-N-propan-2-ylacetamide

2-amino-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-N-propan-2-ylacetamide (PubChem CID 96553388) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-amino-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-N-propan-2-ylacetamide
PubChem CID96553388
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-amino-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(C[C@H]1CCN(C)C1)C(=O)CN
InChIInChI=1S/C11H23N3O/c1-9(2)14(11(15)6-12)8-10-4-5-13(3)7-10/h9-10H,4-8,12H2,1-3H3/t10-/m0/s1
InChIKeyVZLPWAURGYKFNC-JTQLQIEISA-N
XLogP0.13
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylbutanamide
CID 77143929
2-chloro-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-N-propan-2-ylacetamide
CID 96553344
2-amino-N-[(1-benzylpiperidin-3-yl)methyl]-N-propan-2-ylacetamide
CID 66565227
(2R)-2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 78928409
2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide
CID 66565800
(2S)-2-amino-N-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 66565879
(2S)-2-amino-N-cyclopropyl-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide
CID 66565973
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
N-methyl-2-(1-methylpyrrolidin-3-yl)acetohydrazide
CID 116844900
2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
CID 66565804
tert-butyl N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 66566102
tert-butyl N-[[(3R)-1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553536

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-amino-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-N-propan-2-ylacetamide (CID 96553388) is 2-amino-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-amino-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-amino-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-N-propan-2-ylacetamide is CC(C)N(C[C@H]1CCN(C)C1)C(=O)CN.
What is the InChIKey of 2-amino-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-N-propan-2-ylacetamide?
The InChIKey is VZLPWAURGYKFNC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(2)14(11(15)6-12)8-10-4-5-13(3)7-10/h9-10H,4-8,12H2,1-3H3/t10-/m0/s1.
What are the key properties of 2-amino-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-N-propan-2-ylacetamide?
2-amino-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-N-propan-2-ylacetamide has a molecular weight of 213.32 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 96553388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).