(2S)-N-cyclopropyl-2-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide

C12H22N2O2 — CID 129398896

IUPAC(2S)-N-cyclopropyl-2-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide
SMILESCO[C@@H](C)C(=O)N(C[C@@H]1CCCN1)C1CC1
InChIInChI=1S/C12H22N2O2/c1-9(16-2)12(15)14(11-5-6-11)8-10-4-3-7-13-10/h9-11,13H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyMFRSGKFZLUISRX-UWVGGRQHSA-N
MW226.32 g/mol
LogP0.76
Rot. Bonds5

About (2S)-N-cyclopropyl-2-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide

(2S)-N-cyclopropyl-2-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide (PubChem CID 129398896) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide
PubChem CID129398896
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2S)-N-cyclopropyl-2-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide
SMILESCO[C@@H](C)C(=O)N(C[C@@H]1CCCN1)C1CC1
InChIInChI=1S/C12H22N2O2/c1-9(16-2)12(15)14(11-5-6-11)8-10-4-3-7-13-10/h9-11,13H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyMFRSGKFZLUISRX-UWVGGRQHSA-N
XLogP0.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)carbamate
CID 106599450
N-cyclopropyl-N-(piperidin-2-ylmethyl)acetamide
CID 66569474
2-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955350
N-cyclopropyl-2-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 104974023
2-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106611787
2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106617509
2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(3-methoxypropyl)propanamide
CID 106631734
N-(3-methoxypropyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106614794
N-(cyclopropylmethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106608303
N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 104974197
methyl 3-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate
CID 106607628
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-methoxypropanamide
CID 47418493

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide (CID 129398896) is (2S)-N-cyclopropyl-2-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide is CO[C@@H](C)C(=O)N(C[C@@H]1CCCN1)C1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide?
The InChIKey is MFRSGKFZLUISRX-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(16-2)12(15)14(11-5-6-11)8-10-4-3-7-13-10/h9-11,13H,3-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide?
(2S)-N-cyclopropyl-2-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide has a molecular weight of 226.32 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 129398896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).