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

C12H21N3O5 — CID 62478332

IUPAC2-[[2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)N1CCCC1CCCO
InChIInChI=1S/C12H21N3O5/c16-6-2-4-9-3-1-5-15(9)12(20)14-7-10(17)13-8-11(18)19/h9,16H,1-8H2,(H,13,17)(H,14,20)(H,18,19)
InChIKeyMQLRQKOIOTWEBR-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.87
Rot. Bonds7

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

2-[[2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid (PubChem CID 62478332) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[[2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid
PubChem CID62478332
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-[[2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)N1CCCC1CCCO
InChIInChI=1S/C12H21N3O5/c16-6-2-4-9-3-1-5-15(9)12(20)14-7-10(17)13-8-11(18)19/h9,16H,1-8H2,(H,13,17)(H,14,20)(H,18,19)
InChIKeyMQLRQKOIOTWEBR-UHFFFAOYSA-N
XLogP-0.87
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid with MolForge

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Related Compounds

2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid
CID 43445645
2-[[2-[(2-methylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid
CID 61207278
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
4-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 62478870
(2R)-4-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 114005601
2-[1-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 79851933
2-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 104569851
(2S,3R)-3-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 104966198
3-[cyclopropyl-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 62478683
1-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 167912648
5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 62933577

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid (CID 62478332) is 2-[[2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)N1CCCC1CCCO.
What is the InChIKey of 2-[[2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid?
The InChIKey is MQLRQKOIOTWEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c16-6-2-4-9-3-1-5-15(9)12(20)14-7-10(17)13-8-11(18)19/h9,16H,1-8H2,(H,13,17)(H,14,20)(H,18,19).
What are the key properties of 2-[[2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid has a molecular weight of 287.32 g/mol, XLogP of -0.87, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 62478332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).