1-[1-(3-amino-2-methylpropyl)pyrrolidin-3-yl]-3-methylurea

C10H22N4O — CID 123509031

IUPAC1-[1-(3-amino-2-methylpropyl)pyrrolidin-3-yl]-3-methylurea
SMILESCNC(=O)NC1CCN(CC(C)CN)C1
InChIInChI=1S/C10H22N4O/c1-8(5-11)6-14-4-3-9(7-14)13-10(15)12-2/h8-9H,3-7,11H2,1-2H3,(H2,12,13,15)
InChIKeyKRPXNVDDEFWCGA-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.42
Rot. Bonds4

About 1-[1-(3-amino-2-methylpropyl)pyrrolidin-3-yl]-3-methylurea

1-[1-(3-amino-2-methylpropyl)pyrrolidin-3-yl]-3-methylurea (PubChem CID 123509031) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[1-(3-amino-2-methylpropyl)pyrrolidin-3-yl]-3-methylurea.

Molecular Properties

Compound Name1-[1-(3-amino-2-methylpropyl)pyrrolidin-3-yl]-3-methylurea
PubChem CID123509031
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name1-[1-(3-amino-2-methylpropyl)pyrrolidin-3-yl]-3-methylurea
SMILESCNC(=O)NC1CCN(CC(C)CN)C1
InChIInChI=1S/C10H22N4O/c1-8(5-11)6-14-4-3-9(7-14)13-10(15)12-2/h8-9H,3-7,11H2,1-2H3,(H2,12,13,15)
InChIKeyKRPXNVDDEFWCGA-UHFFFAOYSA-N
XLogP-0.42
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-1-[(2S)-3-amino-2-methylpropyl]piperidin-3-yl]-3-tert-butylurea
CID 89492883
4-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]butanamide
CID 81075421
methyl N-[1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]carbamate
CID 106932880
N-cyclopropyl-2-[3-(methylcarbamoylamino)pyrrolidin-1-yl]propanamide
CID 136531999
1-(1-ethylazetidin-3-yl)-3-methylurea
CID 126997556
1-[1-(cyanomethyl)piperidin-4-yl]-3-methylurea
CID 78948240
(2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide
CID 130979651
N-[1-(2-aminoethyl)pyrrolidin-3-yl]acetamide
CID 23450282
tert-butyl N-[1-(2-methylpropyl)pyrrolidin-3-yl]carbamate
CID 75993976
1-[1-[6-amino-2-(methylamino)hexanoyl]piperidin-4-yl]-3-methylurea
CID 145414129
ethyl 1-(3-amino-2-methylpropyl)piperidine-3-carboxylate
CID 63383012
N-(1-acetylpiperidin-4-yl)-5-amino-4-methylpentanamide
CID 82012223

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-amino-2-methylpropyl)pyrrolidin-3-yl]-3-methylurea?
The IUPAC name of 1-[1-(3-amino-2-methylpropyl)pyrrolidin-3-yl]-3-methylurea (CID 123509031) is 1-[1-(3-amino-2-methylpropyl)pyrrolidin-3-yl]-3-methylurea.
What is the SMILES notation for 1-[1-(3-amino-2-methylpropyl)pyrrolidin-3-yl]-3-methylurea?
The canonical SMILES for 1-[1-(3-amino-2-methylpropyl)pyrrolidin-3-yl]-3-methylurea is CNC(=O)NC1CCN(CC(C)CN)C1.
What is the InChIKey of 1-[1-(3-amino-2-methylpropyl)pyrrolidin-3-yl]-3-methylurea?
The InChIKey is KRPXNVDDEFWCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-8(5-11)6-14-4-3-9(7-14)13-10(15)12-2/h8-9H,3-7,11H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-[1-(3-amino-2-methylpropyl)pyrrolidin-3-yl]-3-methylurea?
1-[1-(3-amino-2-methylpropyl)pyrrolidin-3-yl]-3-methylurea has a molecular weight of 214.31 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-amino-2-methylpropyl)pyrrolidin-3-yl]-3-methylurea is sourced from PubChem (CID 123509031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).