1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid

C14H25N3O3 — CID 63127514

IUPAC1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N2CCC(CN)C2)CC1
InChIInChI=1S/C14H25N3O3/c1-2-14(12(18)19)4-7-16(8-5-14)13(20)17-6-3-11(9-15)10-17/h11H,2-10,15H2,1H3,(H,18,19)
InChIKeyYCAKTXGXSMNHRR-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.96
Rot. Bonds3

About 1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid

1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid (PubChem CID 63127514) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid
PubChem CID63127514
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N2CCC(CN)C2)CC1
InChIInChI=1S/C14H25N3O3/c1-2-14(12(18)19)4-7-16(8-5-14)13(20)17-6-3-11(9-15)10-17/h11H,2-10,15H2,1H3,(H,18,19)
InChIKeyYCAKTXGXSMNHRR-UHFFFAOYSA-N
XLogP0.96
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid
CID 63548476
1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070767
4-ethyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 63126334
1-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451548
3-ethyl-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 106588062
3-(aminomethyl)pyrrolidine-1-carboxylic acid
CID 18470958
1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 55176605
4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid
CID 63127462
1-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidine-3-carboxylic acid
CID 62064175
1-(3-methylpiperidine-1-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63126194
3-ethyl-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 102962502
2-[4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,4-diazepan-1-yl]acetic acid
CID 62824340

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid (CID 63127514) is 1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)N2CCC(CN)C2)CC1.
What is the InChIKey of 1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid?
The InChIKey is YCAKTXGXSMNHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-2-14(12(18)19)4-7-16(8-5-14)13(20)17-6-3-11(9-15)10-17/h11H,2-10,15H2,1H3,(H,18,19).
What are the key properties of 1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid?
1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63127514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).