methyl N-[2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]acetyl]carbamate

C13H23N3O3 — CID 106616317

IUPACmethyl N-[2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN(CC1CC1)CC1CCCN1
InChIInChI=1S/C13H23N3O3/c1-19-13(18)15-12(17)9-16(7-10-4-5-10)8-11-3-2-6-14-11/h10-11,14H,2-9H2,1H3,(H,15,17,18)
InChIKeyPLILBPQICIPKRC-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.33
Rot. Bonds6

About methyl N-[2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]acetyl]carbamate

methyl N-[2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]acetyl]carbamate (PubChem CID 106616317) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl N-[2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]acetyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]acetyl]carbamate
PubChem CID106616317
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Namemethyl N-[2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN(CC1CC1)CC1CCCN1
InChIInChI=1S/C13H23N3O3/c1-19-13(18)15-12(17)9-16(7-10-4-5-10)8-11-3-2-6-14-11/h10-11,14H,2-9H2,1H3,(H,15,17,18)
InChIKeyPLILBPQICIPKRC-UHFFFAOYSA-N
XLogP0.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106616532
2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106616413
N-carbamoyl-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615126
2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 106616264
2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 106616473
N-(tert-butylcarbamoyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615007
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide
CID 106616837
3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106616433
2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxypropyl)acetamide
CID 106617530
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylacetamide
CID 106616577
N-(ethylcarbamoyl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide
CID 106636038
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 106617890

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]acetyl]carbamate?
The IUPAC name of methyl N-[2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]acetyl]carbamate (CID 106616317) is methyl N-[2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]acetyl]carbamate.
What is the SMILES notation for methyl N-[2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]acetyl]carbamate?
The canonical SMILES for methyl N-[2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]acetyl]carbamate is COC(=O)NC(=O)CN(CC1CC1)CC1CCCN1.
What is the InChIKey of methyl N-[2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]acetyl]carbamate?
The InChIKey is PLILBPQICIPKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-19-13(18)15-12(17)9-16(7-10-4-5-10)8-11-3-2-6-14-11/h10-11,14H,2-9H2,1H3,(H,15,17,18).
What are the key properties of methyl N-[2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]acetyl]carbamate?
methyl N-[2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]acetyl]carbamate has a molecular weight of 269.34 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]acetyl]carbamate is sourced from PubChem (CID 106616317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).