2-[[2-[(3-propylpyrrolidine-3-carbonyl)amino]acetyl]amino]acetic acid

C12H21N3O4 — CID 63141210

IUPAC2-[[2-[(3-propylpyrrolidine-3-carbonyl)amino]acetyl]amino]acetic acid
SMILESCCCC1(C(=O)NCC(=O)NCC(=O)O)CCNC1
InChIInChI=1S/C12H21N3O4/c1-2-3-12(4-5-13-8-12)11(19)15-6-9(16)14-7-10(17)18/h13H,2-8H2,1H3,(H,14,16)(H,15,19)(H,17,18)
InChIKeyLAWHPPXAFAFIFQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.92
Rot. Bonds7

About 2-[[2-[(3-propylpyrrolidine-3-carbonyl)amino]acetyl]amino]acetic acid

2-[[2-[(3-propylpyrrolidine-3-carbonyl)amino]acetyl]amino]acetic acid (PubChem CID 63141210) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[[2-[(3-propylpyrrolidine-3-carbonyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(3-propylpyrrolidine-3-carbonyl)amino]acetyl]amino]acetic acid
PubChem CID63141210
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-[[2-[(3-propylpyrrolidine-3-carbonyl)amino]acetyl]amino]acetic acid
SMILESCCCC1(C(=O)NCC(=O)NCC(=O)O)CCNC1
InChIInChI=1S/C12H21N3O4/c1-2-3-12(4-5-13-8-12)11(19)15-6-9(16)14-7-10(17)18/h13H,2-8H2,1H3,(H,14,16)(H,15,19)(H,17,18)
InChIKeyLAWHPPXAFAFIFQ-UHFFFAOYSA-N
XLogP-0.92
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-(propylamino)ethyl]-4-propylpiperidine-4-carboxamide
CID 63127591
N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide
CID 63141705
3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide
CID 115519402
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 65120275
3-propyl-N-(2,3,3-trimethylbutyl)pyrrolidine-3-carboxamide
CID 83142761
2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 55166881
N-[3-(diethylamino)propyl]-3-propylpyrrolidine-3-carboxamide
CID 63138470
4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 63132002
N-(1H-imidazol-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide
CID 64529966
2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63143746
N-cyclopentyl-3-propylpyrrolidine-3-carboxamide
CID 63141137
N-cyclobutyl-3-propylpyrrolidine-3-carboxamide
CID 63142561

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-propylpyrrolidine-3-carbonyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(3-propylpyrrolidine-3-carbonyl)amino]acetyl]amino]acetic acid (CID 63141210) is 2-[[2-[(3-propylpyrrolidine-3-carbonyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(3-propylpyrrolidine-3-carbonyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(3-propylpyrrolidine-3-carbonyl)amino]acetyl]amino]acetic acid is CCCC1(C(=O)NCC(=O)NCC(=O)O)CCNC1.
What is the InChIKey of 2-[[2-[(3-propylpyrrolidine-3-carbonyl)amino]acetyl]amino]acetic acid?
The InChIKey is LAWHPPXAFAFIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-2-3-12(4-5-13-8-12)11(19)15-6-9(16)14-7-10(17)18/h13H,2-8H2,1H3,(H,14,16)(H,15,19)(H,17,18).
What are the key properties of 2-[[2-[(3-propylpyrrolidine-3-carbonyl)amino]acetyl]amino]acetic acid?
2-[[2-[(3-propylpyrrolidine-3-carbonyl)amino]acetyl]amino]acetic acid has a molecular weight of 271.32 g/mol, XLogP of -0.92, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-propylpyrrolidine-3-carbonyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 63141210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).