1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea

C7H15N3O — CID 59006471

IUPAC1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea
SMILESCNC(=O)NC[C@H]1CCNC1
InChIInChI=1S/C7H15N3O/c1-8-7(11)10-5-6-2-3-9-4-6/h6,9H,2-5H2,1H3,(H2,8,10,11)/t6-/m0/s1
InChIKeyPPLPPVATRFPDBX-LURJTMIESA-N
MW157.22 g/mol
LogP-0.48
Rot. Bonds2

About 1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea

1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea (PubChem CID 59006471) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea
PubChem CID59006471
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea
SMILESCNC(=O)NC[C@H]1CCNC1
InChIInChI=1S/C7H15N3O/c1-8-7(11)10-5-6-2-3-9-4-6/h6,9H,2-5H2,1H3,(H2,8,10,11)/t6-/m0/s1
InChIKeyPPLPPVATRFPDBX-LURJTMIESA-N
XLogP-0.48
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-(pyrrolidin-3-ylmethyl)propanamide
CID 58790353
3-(pyrrolidin-3-ylmethylcarbamoylamino)propanoic acid
CID 117234624
1-(3-hydroxypropyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117234379
2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
CID 172876281
1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117234533
2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide
CID 174605600
1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
CID 43208690
1-(4-methylphenyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 80563054
1-(1-methylpyrrolidin-2-yl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117234848
1-(1-methylpiperidin-2-yl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117234938
1-(1-methylpiperidin-3-yl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117234767
2-fluoro-3-methyl-N-(pyrrolidin-3-ylmethyl)but-2-enamide;hydrochloride
CID 130697516

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea (CID 59006471) is 1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea is CNC(=O)NC[C@H]1CCNC1.
What is the InChIKey of 1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea?
The InChIKey is PPLPPVATRFPDBX-LURJTMIESA-N. The full InChI is InChI=1S/C7H15N3O/c1-8-7(11)10-5-6-2-3-9-4-6/h6,9H,2-5H2,1H3,(H2,8,10,11)/t6-/m0/s1.
What are the key properties of 1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea?
1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea has a molecular weight of 157.22 g/mol, XLogP of -0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 59006471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).