N-cyclopropyl-2-[3-(methylcarbamoylamino)pyrrolidin-1-yl]propanamide

C12H22N4O2 — CID 136531999

IUPACN-cyclopropyl-2-[3-(methylcarbamoylamino)pyrrolidin-1-yl]propanamide
SMILESCNC(=O)NC1CCN(C(C)C(=O)NC2CC2)C1
InChIInChI=1S/C12H22N4O2/c1-8(11(17)14-9-3-4-9)16-6-5-10(7-16)15-12(18)13-2/h8-10H,3-7H2,1-2H3,(H,14,17)(H2,13,15,18)
InChIKeyDTVNIKUHZFKVMT-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.34
Rot. Bonds4

About N-cyclopropyl-2-[3-(methylcarbamoylamino)pyrrolidin-1-yl]propanamide

N-cyclopropyl-2-[3-(methylcarbamoylamino)pyrrolidin-1-yl]propanamide (PubChem CID 136531999) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(methylcarbamoylamino)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(methylcarbamoylamino)pyrrolidin-1-yl]propanamide
PubChem CID136531999
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-cyclopropyl-2-[3-(methylcarbamoylamino)pyrrolidin-1-yl]propanamide
SMILESCNC(=O)NC1CCN(C(C)C(=O)NC2CC2)C1
InChIInChI=1S/C12H22N4O2/c1-8(11(17)14-9-3-4-9)16-6-5-10(7-16)15-12(18)13-2/h8-10H,3-7H2,1-2H3,(H,14,17)(H2,13,15,18)
InChIKeyDTVNIKUHZFKVMT-UHFFFAOYSA-N
XLogP-0.34
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[4-(methylamino)piperidin-1-yl]propanamide
CID 60820306
2-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-cyclopropylpropanamide
CID 60573199
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 60820303
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
CID 119923499
N-cyclopropyl-2-(3-hydroxyazetidin-1-yl)propanamide
CID 63282376
N-cyclopropyl-2-[3-ethyl-4-(methylamino)piperidin-1-yl]propanamide
CID 114507912
(2S)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(cyclopropylcarbamoyl)propanamide
CID 34700937
N-cyclopropyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide
CID 3229556
2-(3-aminoazetidin-1-yl)-N-cyclopropylpropanamide
CID 63761129
N-cyclopropyl-2-(3-methylpiperazin-1-yl)propanamide;hydrochloride
CID 119924485
N-cyclopropyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204430
(2R)-N-(cyclopropylcarbamoyl)-2-[(3S)-3-hydroxypiperidin-1-yl]propanamide
CID 94185282

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(methylcarbamoylamino)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[3-(methylcarbamoylamino)pyrrolidin-1-yl]propanamide (CID 136531999) is N-cyclopropyl-2-[3-(methylcarbamoylamino)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(methylcarbamoylamino)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[3-(methylcarbamoylamino)pyrrolidin-1-yl]propanamide is CNC(=O)NC1CCN(C(C)C(=O)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-2-[3-(methylcarbamoylamino)pyrrolidin-1-yl]propanamide?
The InChIKey is DTVNIKUHZFKVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-8(11(17)14-9-3-4-9)16-6-5-10(7-16)15-12(18)13-2/h8-10H,3-7H2,1-2H3,(H,14,17)(H2,13,15,18).
What are the key properties of N-cyclopropyl-2-[3-(methylcarbamoylamino)pyrrolidin-1-yl]propanamide?
N-cyclopropyl-2-[3-(methylcarbamoylamino)pyrrolidin-1-yl]propanamide has a molecular weight of 254.33 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(methylcarbamoylamino)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 136531999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).