2-[[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid

C11H20N4O4 — CID 55220965

IUPAC2-[[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid
SMILESCN(C)C1CCN(C(=O)NCC(=O)NCC(=O)O)C1
InChIInChI=1S/C11H20N4O4/c1-14(2)8-3-4-15(7-8)11(19)13-5-9(16)12-6-10(17)18/h8H,3-7H2,1-2H3,(H,12,16)(H,13,19)(H,17,18)
InChIKeyNTPPDUDPIKCNCF-UHFFFAOYSA-N
MW272.31 g/mol
LogP-1.47
Rot. Bonds5

About 2-[[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid

2-[[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid (PubChem CID 55220965) has the molecular formula C11H20N4O4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-[[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid
PubChem CID55220965
Molecular FormulaC11H20N4O4
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name2-[[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid
SMILESCN(C)C1CCN(C(=O)NCC(=O)NCC(=O)O)C1
InChIInChI=1S/C11H20N4O4/c1-14(2)8-3-4-15(7-8)11(19)13-5-9(16)12-6-10(17)18/h8H,3-7H2,1-2H3,(H,12,16)(H,13,19)(H,17,18)
InChIKeyNTPPDUDPIKCNCF-UHFFFAOYSA-N
XLogP-1.47
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid
CID 63547793
2-[[2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetyl]amino]acetic acid
CID 63977490
4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-methylbutanoic acid
CID 80541126
5-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid
CID 63536519
2-[[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)acetyl]amino]acetic acid
CID 114411753
4-[[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 63550040
N-(3-anilino-3-oxopropyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 122565552
4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 63549164
N-tert-butyl-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 115695099
5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 82013959
(2R)-2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid
CID 80757373
N-cyclopentyl-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 115610399

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid (CID 55220965) is 2-[[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid is CN(C)C1CCN(C(=O)NCC(=O)NCC(=O)O)C1.
What is the InChIKey of 2-[[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid?
The InChIKey is NTPPDUDPIKCNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4/c1-14(2)8-3-4-15(7-8)11(19)13-5-9(16)12-6-10(17)18/h8H,3-7H2,1-2H3,(H,12,16)(H,13,19)(H,17,18).
What are the key properties of 2-[[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid?
2-[[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid has a molecular weight of 272.31 g/mol, XLogP of -1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 55220965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).