2-[[2-[[7-[[2-(carboxyamino)-2-oxoethyl]amino]-7-oxoheptanoyl]amino]acetyl]amino]acetic acid

C14H22N4O8 — CID 101240963

IUPAC2-[[2-[[7-[[2-(carboxyamino)-2-oxoethyl]amino]-7-oxoheptanoyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)CCCCCC(=O)NCC(=O)NC(=O)O
InChIInChI=1S/C14H22N4O8/c19-9(15-6-11(21)17-8-13(23)24)4-2-1-3-5-10(20)16-7-12(22)18-14(25)26/h1-8H2,(H,15,19)(H,16,20)(H,17,21)(H,18,22)(H,23,24)(H,25,26)
InChIKeyHMZNORYCCNWJMG-UHFFFAOYSA-N
MW374.35 g/mol
LogP-1.84
Rot. Bonds12

About 2-[[2-[[7-[[2-(carboxyamino)-2-oxoethyl]amino]-7-oxoheptanoyl]amino]acetyl]amino]acetic acid

2-[[2-[[7-[[2-(carboxyamino)-2-oxoethyl]amino]-7-oxoheptanoyl]amino]acetyl]amino]acetic acid (PubChem CID 101240963) has the molecular formula C14H22N4O8 and a molecular weight of 374.35 g/mol. Its IUPAC name is 2-[[2-[[7-[[2-(carboxyamino)-2-oxoethyl]amino]-7-oxoheptanoyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[7-[[2-(carboxyamino)-2-oxoethyl]amino]-7-oxoheptanoyl]amino]acetyl]amino]acetic acid
PubChem CID101240963
Molecular FormulaC14H22N4O8
Molecular Weight374.35 g/mol
Exact Mass374.14
IUPAC Name2-[[2-[[7-[[2-(carboxyamino)-2-oxoethyl]amino]-7-oxoheptanoyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)CCCCCC(=O)NCC(=O)NC(=O)O
InChIInChI=1S/C14H22N4O8/c19-9(15-6-11(21)17-8-13(23)24)4-2-1-3-5-10(20)16-7-12(22)18-14(25)26/h1-8H2,(H,15,19)(H,16,20)(H,17,21)(H,18,22)(H,23,24)(H,25,26)
InChIKeyHMZNORYCCNWJMG-UHFFFAOYSA-N
XLogP-1.84
TPSA191.00 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.35
LogP ≤ 5-1.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[2-[[7-[[2-(carboxyamino)-2-oxoethyl]amino]-7-oxoheptanoyl]amino]acetyl]amino]acetic acid with MolForge

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Related Compounds

2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid
CID 15168777
2-(7-aminoheptanoylamino)acetic acid
CID 18934956
2-[[12-(methylamino)-12-oxododecanoyl]amino]acetic acid
CID 163272447
2-[[2-(pentanoylamino)acetyl]amino]acetic acid
CID 43387772
2-(6-bromohexanoylamino)acetic acid
CID 18934957
sodium;2-(hexadecanoylamino)acetic acid;hydride
CID 173207705
potassium;hydride;2-(octadecanoylamino)acetic acid
CID 174739574
2-(7-methyloctanoylamino)acetic acid
CID 21289225
2-(10-deuteriodecanoylamino)acetic acid
CID 170555179
[3-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-oxopropyl]azanium
CID 23278184
[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]carbamic acid
CID 118982081
2-[4-(octanoylamino)butanoylamino]acetic acid
CID 170428184

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[7-[[2-(carboxyamino)-2-oxoethyl]amino]-7-oxoheptanoyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[7-[[2-(carboxyamino)-2-oxoethyl]amino]-7-oxoheptanoyl]amino]acetyl]amino]acetic acid (CID 101240963) is 2-[[2-[[7-[[2-(carboxyamino)-2-oxoethyl]amino]-7-oxoheptanoyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[7-[[2-(carboxyamino)-2-oxoethyl]amino]-7-oxoheptanoyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[7-[[2-(carboxyamino)-2-oxoethyl]amino]-7-oxoheptanoyl]amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)CCCCCC(=O)NCC(=O)NC(=O)O.
What is the InChIKey of 2-[[2-[[7-[[2-(carboxyamino)-2-oxoethyl]amino]-7-oxoheptanoyl]amino]acetyl]amino]acetic acid?
The InChIKey is HMZNORYCCNWJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O8/c19-9(15-6-11(21)17-8-13(23)24)4-2-1-3-5-10(20)16-7-12(22)18-14(25)26/h1-8H2,(H,15,19)(H,16,20)(H,17,21)(H,18,22)(H,23,24)(H,25,26).
What are the key properties of 2-[[2-[[7-[[2-(carboxyamino)-2-oxoethyl]amino]-7-oxoheptanoyl]amino]acetyl]amino]acetic acid?
2-[[2-[[7-[[2-(carboxyamino)-2-oxoethyl]amino]-7-oxoheptanoyl]amino]acetyl]amino]acetic acid has a molecular weight of 374.35 g/mol, XLogP of -1.84, 12 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[7-[[2-(carboxyamino)-2-oxoethyl]amino]-7-oxoheptanoyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 101240963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).