[1-[[3-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]methylcarbamic acid

C14H21N3O2 — CID 135324861

IUPAC[1-[[3-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]methylcarbamic acid
SMILESNCc1cccc(CN2CCC(CNC(=O)O)C2)c1
InChIInChI=1S/C14H21N3O2/c15-7-11-2-1-3-12(6-11)9-17-5-4-13(10-17)8-16-14(18)19/h1-3,6,13,16H,4-5,7-10,15H2,(H,18,19)
InChIKeyLMJDODNYIYJAQL-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.23
Rot. Bonds5

About [1-[[3-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]methylcarbamic acid

[1-[[3-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]methylcarbamic acid (PubChem CID 135324861) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [1-[[3-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]methylcarbamic acid.

Molecular Properties

Compound Name[1-[[3-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]methylcarbamic acid
PubChem CID135324861
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[1-[[3-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]methylcarbamic acid
SMILESNCc1cccc(CN2CCC(CNC(=O)O)C2)c1
InChIInChI=1S/C14H21N3O2/c15-7-11-2-1-3-12(6-11)9-17-5-4-13(10-17)8-16-14(18)19/h1-3,6,13,16H,4-5,7-10,15H2,(H,18,19)
InChIKeyLMJDODNYIYJAQL-UHFFFAOYSA-N
XLogP1.23
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553008
2-amino-N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553009
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 66565184
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
2-hydroxy-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95208561
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 124514796
1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol
CID 114678032
[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 61224005
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide
CID 77092347
methyl 3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]benzoate
CID 62062528

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]methylcarbamic acid?
The IUPAC name of [1-[[3-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]methylcarbamic acid (CID 135324861) is [1-[[3-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]methylcarbamic acid.
What is the SMILES notation for [1-[[3-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]methylcarbamic acid?
The canonical SMILES for [1-[[3-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]methylcarbamic acid is NCc1cccc(CN2CCC(CNC(=O)O)C2)c1.
What is the InChIKey of [1-[[3-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]methylcarbamic acid?
The InChIKey is LMJDODNYIYJAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-7-11-2-1-3-12(6-11)9-17-5-4-13(10-17)8-16-14(18)19/h1-3,6,13,16H,4-5,7-10,15H2,(H,18,19).
What are the key properties of [1-[[3-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]methylcarbamic acid?
[1-[[3-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]methylcarbamic acid has a molecular weight of 263.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]methylcarbamic acid is sourced from PubChem (CID 135324861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).