N,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide

C12H22N4O3 — CID 63142003

IUPACN,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(CC(N)=O)CC(N)=O)CCNC1
InChIInChI=1S/C12H22N4O3/c1-2-3-12(4-5-15-8-12)11(19)16(6-9(13)17)7-10(14)18/h15H,2-8H2,1H3,(H2,13,17)(H2,14,18)
InChIKeyBAMOKYBNFXEPQT-UHFFFAOYSA-N
MW270.33 g/mol
LogP-1.43
Rot. Bonds7

About N,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide

N,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 63142003) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is N,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide
PubChem CID63142003
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC NameN,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(CC(N)=O)CC(N)=O)CCNC1
InChIInChI=1S/C12H22N4O3/c1-2-3-12(4-5-15-8-12)11(19)16(6-9(13)17)7-10(14)18/h15H,2-8H2,1H3,(H2,13,17)(H2,14,18)
InChIKeyBAMOKYBNFXEPQT-UHFFFAOYSA-N
XLogP-1.43
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide
CID 63138504
N-(cyclopropylmethyl)-N,3-dipropylpyrrolidine-3-carboxamide
CID 63138996
methyl 2-[methyl-(3-propylpyrrolidine-3-carbonyl)amino]acetate
CID 63143463
N-(3,3-dimethylbutan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63143489
N,N-bis(prop-2-enyl)-3-propylpiperidine-3-carboxamide
CID 63132269
N-(1-hydroxypropan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 104551752
N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-propylpiperidine-4-carboxamide
CID 63128358
2-[propyl-(3-propylpiperidine-3-carbonyl)amino]acetic acid
CID 63135316
N-(2-cyanopropyl)-N-ethyl-3-propylpyrrolidine-3-carboxamide
CID 63143639
N-(2-amino-2-oxoethyl)-4-ethyl-N-methylpiperidine-4-carboxamide
CID 55220524
N-ethyl-N-(2-phenylethyl)-3-propylpyrrolidine-3-carboxamide
CID 63144020
N-ethyl-N-(2-hydroxyethyl)-3-propylpiperidine-3-carboxamide
CID 63131140

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide (CID 63142003) is N,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)N(CC(N)=O)CC(N)=O)CCNC1.
What is the InChIKey of N,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is BAMOKYBNFXEPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-2-3-12(4-5-15-8-12)11(19)16(6-9(13)17)7-10(14)18/h15H,2-8H2,1H3,(H2,13,17)(H2,14,18).
What are the key properties of N,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide?
N,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 270.33 g/mol, XLogP of -1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63142003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).