2-[[2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid

C12H22N4O5 — CID 66052546

IUPAC2-[[2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid
SMILESCN(C)CC1CC(O)CN1C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C12H22N4O5/c1-15(2)6-8-3-9(17)7-16(8)12(21)14-4-10(18)13-5-11(19)20/h8-9,17H,3-7H2,1-2H3,(H,13,18)(H,14,21)(H,19,20)
InChIKeyNZMUJHKPSVFIMU-UHFFFAOYSA-N
MW302.33 g/mol
LogP-2.11
Rot. Bonds6

About 2-[[2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid

2-[[2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid (PubChem CID 66052546) has the molecular formula C12H22N4O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[[2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid
PubChem CID66052546
Molecular FormulaC12H22N4O5
Molecular Weight302.33 g/mol
Exact Mass302.16
IUPAC Name2-[[2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid
SMILESCN(C)CC1CC(O)CN1C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C12H22N4O5/c1-15(2)6-8-3-9(17)7-16(8)12(21)14-4-10(18)13-5-11(19)20/h8-9,17H,3-7H2,1-2H3,(H,13,18)(H,14,21)(H,19,20)
InChIKeyNZMUJHKPSVFIMU-UHFFFAOYSA-N
XLogP-2.11
TPSA122.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-2.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid (CID 66052546) is 2-[[2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid is CN(C)CC1CC(O)CN1C(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid?
The InChIKey is NZMUJHKPSVFIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O5/c1-15(2)6-8-3-9(17)7-16(8)12(21)14-4-10(18)13-5-11(19)20/h8-9,17H,3-7H2,1-2H3,(H,13,18)(H,14,21)(H,19,20).
What are the key properties of 2-[[2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid has a molecular weight of 302.33 g/mol, XLogP of -2.11, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 66052546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).