4-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]butanoic acid

C10H18N4O5 — CID 86108729

IUPAC4-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]butanoic acid
SMILESNC(=O)CNC(=O)CNC(=O)CNCCCC(=O)O
InChIInChI=1S/C10H18N4O5/c11-7(15)4-13-9(17)6-14-8(16)5-12-3-1-2-10(18)19/h12H,1-6H2,(H2,11,15)(H,13,17)(H,14,16)(H,18,19)
InChIKeyAQRCPDHOIRTOLJ-UHFFFAOYSA-N
MW274.28 g/mol
LogP-2.84
Rot. Bonds10

About 4-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]butanoic acid

4-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]butanoic acid (PubChem CID 86108729) has the molecular formula C10H18N4O5 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]butanoic acid
PubChem CID86108729
Molecular FormulaC10H18N4O5
Molecular Weight274.28 g/mol
Exact Mass274.13
IUPAC Name4-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]butanoic acid
SMILESNC(=O)CNC(=O)CNC(=O)CNCCCC(=O)O
InChIInChI=1S/C10H18N4O5/c11-7(15)4-13-9(17)6-14-8(16)5-12-3-1-2-10(18)19/h12H,1-6H2,(H2,11,15)(H,13,17)(H,14,16)(H,18,19)
InChIKeyAQRCPDHOIRTOLJ-UHFFFAOYSA-N
XLogP-2.84
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-2.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-carboxypropylamino)butanoic acid
CID 4072500
3-[[2-[[2-[[2-(hydroxymethylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 147190025
3-[(2-amino-2-oxoethyl)amino]-3-oxopropanoic acid
CID 62230553
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid
CID 43473310
5-[(2-amino-2-oxoethyl)carbamoylamino]-5-oxopentanoic acid
CID 28931731
5-[[2-[[(2S)-1-[[2-[[(2S)-1-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
CID 170048209
2-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]ethylamino]acetic acid
CID 89108194
3-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949739
2-[[2-[(5-amino-5-oxopentyl)carbamoylamino]acetyl]amino]acetic acid
CID 114162453
4-[[2-(4-methylpentanoylamino)acetyl]amino]butanoic acid
CID 119171039
4-[(3-amino-3-oxopropyl)carbamoylamino]butanoic acid
CID 61202832
4-[[2-[11-[[2-(3-carboxypropanoylamino)acetyl]amino]undecylamino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 89444985

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]butanoic acid?
The IUPAC name of 4-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]butanoic acid (CID 86108729) is 4-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]butanoic acid is NC(=O)CNC(=O)CNC(=O)CNCCCC(=O)O.
What is the InChIKey of 4-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]butanoic acid?
The InChIKey is AQRCPDHOIRTOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O5/c11-7(15)4-13-9(17)6-14-8(16)5-12-3-1-2-10(18)19/h12H,1-6H2,(H2,11,15)(H,13,17)(H,14,16)(H,18,19).
What are the key properties of 4-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]butanoic acid?
4-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]butanoic acid has a molecular weight of 274.28 g/mol, XLogP of -2.84, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]butanoic acid is sourced from PubChem (CID 86108729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).