2-[[2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]acetyl]amino]acetic acid

C9H16N4O5 — CID 61197433

IUPAC2-[[2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]acetyl]amino]acetic acid
SMILESCN(C)C(=O)CNC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C9H16N4O5/c1-13(2)7(15)4-12-9(18)11-3-6(14)10-5-8(16)17/h3-5H2,1-2H3,(H,10,14)(H,16,17)(H2,11,12,18)
InChIKeyAAERSKCRWOLLGF-UHFFFAOYSA-N
MW260.25 g/mol
LogP-2.43
Rot. Bonds6

About 2-[[2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]acetyl]amino]acetic acid

2-[[2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]acetyl]amino]acetic acid (PubChem CID 61197433) has the molecular formula C9H16N4O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[[2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]acetyl]amino]acetic acid
PubChem CID61197433
Molecular FormulaC9H16N4O5
Molecular Weight260.25 g/mol
Exact Mass260.11
IUPAC Name2-[[2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]acetyl]amino]acetic acid
SMILESCN(C)C(=O)CNC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C9H16N4O5/c1-13(2)7(15)4-12-9(18)11-3-6(14)10-5-8(16)17/h3-5H2,1-2H3,(H,10,14)(H,16,17)(H2,11,12,18)
InChIKeyAAERSKCRWOLLGF-UHFFFAOYSA-N
XLogP-2.43
TPSA127.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-2.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(prop-2-ynylcarbamoylamino)acetyl]amino]acetic acid
CID 61192699
2-[[2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]acetyl]amino]acetic acid
CID 62635691
2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid
CID 43445725
5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-5-oxopentanoic acid
CID 62963822
2-[[2-(2,3-dimethylbutylcarbamoylamino)acetyl]amino]acetic acid
CID 64598626
N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypropanamide
CID 20719167
3-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pentanoic acid
CID 81069323
5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid
CID 82688722
3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66176563
2-[[2-(2,3,3-trimethylbutylcarbamoylamino)acetyl]amino]acetic acid
CID 83144191
4-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid
CID 62049449
2-[[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]acetyl]amino]acetic acid
CID 63957321

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]acetyl]amino]acetic acid (CID 61197433) is 2-[[2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]acetyl]amino]acetic acid is CN(C)C(=O)CNC(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]acetyl]amino]acetic acid?
The InChIKey is AAERSKCRWOLLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O5/c1-13(2)7(15)4-12-9(18)11-3-6(14)10-5-8(16)17/h3-5H2,1-2H3,(H,10,14)(H,16,17)(H2,11,12,18).
What are the key properties of 2-[[2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]acetyl]amino]acetic acid?
2-[[2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]acetyl]amino]acetic acid has a molecular weight of 260.25 g/mol, XLogP of -2.43, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 61197433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).