4-[[2-(3-carboxypropanoylamino)acetyl]amino]pentanoic acid

C11H18N2O6 — CID 134182114

IUPAC4-[[2-(3-carboxypropanoylamino)acetyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)CNC(=O)CCC(=O)O
InChIInChI=1S/C11H18N2O6/c1-7(2-4-10(16)17)13-9(15)6-12-8(14)3-5-11(18)19/h7H,2-6H2,1H3,(H,12,14)(H,13,15)(H,16,17)(H,18,19)
InChIKeyZCGYPICPXNKJDY-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.66
Rot. Bonds9

About 4-[[2-(3-carboxypropanoylamino)acetyl]amino]pentanoic acid

4-[[2-(3-carboxypropanoylamino)acetyl]amino]pentanoic acid (PubChem CID 134182114) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 4-[[2-(3-carboxypropanoylamino)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-[[2-(3-carboxypropanoylamino)acetyl]amino]pentanoic acid
PubChem CID134182114
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name4-[[2-(3-carboxypropanoylamino)acetyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)CNC(=O)CCC(=O)O
InChIInChI=1S/C11H18N2O6/c1-7(2-4-10(16)17)13-9(15)6-12-8(14)3-5-11(18)19/h7H,2-6H2,1H3,(H,12,14)(H,13,15)(H,16,17)(H,18,19)
InChIKeyZCGYPICPXNKJDY-UHFFFAOYSA-N
XLogP-0.66
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-[(2-aminoacetyl)amino]acetyl]amino]hexanoic acid
CID 82847762
4-[[2-[(2-acetamido-4-amino-4-oxobutanoyl)amino]acetyl]amino]pentanoic acid
CID 146213659
6-oxo-6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexanoic acid
CID 43567860
4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoic acid
CID 107214433
4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 54900854
(2S)-2-[[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid
CID 119238547
5-(3-carboxypropanoylamino)-4-oxopentanoic acid
CID 102302142
(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]pentanedioic acid
CID 145453586
4-[[2-(4-methylpentanoylamino)acetyl]amino]butanoic acid
CID 119171039
4-[[2-[11-[[2-(3-carboxypropanoylamino)acetyl]amino]undecylamino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 89444985
4-[[2-(trifluoromethylsulfanyl)acetyl]amino]pentanoic acid
CID 115923960
N-(2-amino-2-oxoethyl)-N'-(4-phenylbutan-2-yl)butanediamide
CID 51362452

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-carboxypropanoylamino)acetyl]amino]pentanoic acid?
The IUPAC name of 4-[[2-(3-carboxypropanoylamino)acetyl]amino]pentanoic acid (CID 134182114) is 4-[[2-(3-carboxypropanoylamino)acetyl]amino]pentanoic acid.
What is the SMILES notation for 4-[[2-(3-carboxypropanoylamino)acetyl]amino]pentanoic acid?
The canonical SMILES for 4-[[2-(3-carboxypropanoylamino)acetyl]amino]pentanoic acid is CC(CCC(=O)O)NC(=O)CNC(=O)CCC(=O)O.
What is the InChIKey of 4-[[2-(3-carboxypropanoylamino)acetyl]amino]pentanoic acid?
The InChIKey is ZCGYPICPXNKJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-7(2-4-10(16)17)13-9(15)6-12-8(14)3-5-11(18)19/h7H,2-6H2,1H3,(H,12,14)(H,13,15)(H,16,17)(H,18,19).
What are the key properties of 4-[[2-(3-carboxypropanoylamino)acetyl]amino]pentanoic acid?
4-[[2-(3-carboxypropanoylamino)acetyl]amino]pentanoic acid has a molecular weight of 274.27 g/mol, XLogP of -0.66, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-carboxypropanoylamino)acetyl]amino]pentanoic acid is sourced from PubChem (CID 134182114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).