2-[[2-[(2-methylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid

C10H17N3O4 — CID 61207278

IUPAC2-[[2-[(2-methylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid
SMILESCC1CCCN1C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H17N3O4/c1-7-3-2-4-13(7)10(17)12-5-8(14)11-6-9(15)16/h7H,2-6H2,1H3,(H,11,14)(H,12,17)(H,15,16)
InChIKeyYQRGUKRLIRAHRY-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.62
Rot. Bonds4

About 2-[[2-[(2-methylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid

2-[[2-[(2-methylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid (PubChem CID 61207278) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[[2-[(2-methylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-methylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid
PubChem CID61207278
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[[2-[(2-methylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid
SMILESCC1CCCN1C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H17N3O4/c1-7-3-2-4-13(7)10(17)12-5-8(14)11-6-9(15)16/h7H,2-6H2,1H3,(H,11,14)(H,12,17)(H,15,16)
InChIKeyYQRGUKRLIRAHRY-UHFFFAOYSA-N
XLogP-0.62
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)acetyl]amino]acetic acid
CID 65320370
2-[[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]acetyl]amino]acetic acid
CID 102727447
2-[[2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid
CID 62478332
2-methyl-N-prop-2-ynylpyrrolidine-1-carboxamide
CID 130614788
(2R)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 55151526
2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetic acid
CID 59404491
N-(cyclohexylmethyl)-2-methylpiperidine-1-carboxamide
CID 108902901
2-[3-(2-methylpiperidin-1-yl)propanoylamino]acetic acid
CID 52983761
5-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 43117881
6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid
CID 43447279
2-[[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid
CID 55220965
2-[4-[(2-methylpyrrolidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61207089

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-methylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2-methylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid (CID 61207278) is 2-[[2-[(2-methylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2-methylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2-methylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid is CC1CCCN1C(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[(2-methylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid?
The InChIKey is YQRGUKRLIRAHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-7-3-2-4-13(7)10(17)12-5-8(14)11-6-9(15)16/h7H,2-6H2,1H3,(H,11,14)(H,12,17)(H,15,16).
What are the key properties of 2-[[2-[(2-methylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid?
2-[[2-[(2-methylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid has a molecular weight of 243.26 g/mol, XLogP of -0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-methylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 61207278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).