1-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid

C11H19N3O3 — CID 115451548

IUPAC1-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESNCC1CCN(C(=O)NCC2(C(=O)O)CC2)C1
InChIInChI=1S/C11H19N3O3/c12-5-8-1-4-14(6-8)10(17)13-7-11(2-3-11)9(15)16/h8H,1-7,12H2,(H,13,17)(H,15,16)
InChIKeyHRTFFYOINQNXMP-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.16
Rot. Bonds4

About 1-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115451548) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115451548
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name1-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESNCC1CCN(C(=O)NCC2(C(=O)O)CC2)C1
InChIInChI=1S/C11H19N3O3/c12-5-8-1-4-14(6-8)10(17)13-7-11(2-3-11)9(15)16/h8H,1-7,12H2,(H,13,17)(H,15,16)
InChIKeyHRTFFYOINQNXMP-UHFFFAOYSA-N
XLogP-0.16
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 115451548) is 1-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid is NCC1CCN(C(=O)NCC2(C(=O)O)CC2)C1.
What is the InChIKey of 1-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is HRTFFYOINQNXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c12-5-8-1-4-14(6-8)10(17)13-7-11(2-3-11)9(15)16/h8H,1-7,12H2,(H,13,17)(H,15,16).
What are the key properties of 1-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115451548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).