5-[[2-(methoxycarbonylamino)acetyl]-methylamino]pentanoic acid

C10H18N2O5 — CID 88919020

IUPAC5-[[2-(methoxycarbonylamino)acetyl]-methylamino]pentanoic acid
SMILESCOC(=O)NCC(=O)N(C)CCCCC(=O)O
InChIInChI=1S/C10H18N2O5/c1-12(6-4-3-5-9(14)15)8(13)7-11-10(16)17-2/h3-7H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyRTTLGWPOHZYZSB-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.06
Rot. Bonds7

About 5-[[2-(methoxycarbonylamino)acetyl]-methylamino]pentanoic acid

5-[[2-(methoxycarbonylamino)acetyl]-methylamino]pentanoic acid (PubChem CID 88919020) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 5-[[2-(methoxycarbonylamino)acetyl]-methylamino]pentanoic acid.

Molecular Properties

Compound Name5-[[2-(methoxycarbonylamino)acetyl]-methylamino]pentanoic acid
PubChem CID88919020
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name5-[[2-(methoxycarbonylamino)acetyl]-methylamino]pentanoic acid
SMILESCOC(=O)NCC(=O)N(C)CCCCC(=O)O
InChIInChI=1S/C10H18N2O5/c1-12(6-4-3-5-9(14)15)8(13)7-11-10(16)17-2/h3-7H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyRTTLGWPOHZYZSB-UHFFFAOYSA-N
XLogP0.06
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(2,2-dimethylpropanoylamino)acetyl]-methylamino]butanoic acid
CID 43172456
5-[carboxy(methyl)amino]pentanoic acid
CID 89340824
6-(methoxycarbonylamino)hexanoic acid
CID 22382374
10-[methyl(pentyl)amino]-10-oxodecanoic acid
CID 143390074
8-[methyl-[4-(methylamino)butanoyl]amino]octanoic acid
CID 156569276
6-[butyl(methyl)amino]-6-oxohexanoic acid
CID 43447178
4-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid
CID 43359989
3-[[2-(butanoylamino)acetyl]-methylamino]propanoic acid
CID 115596400
6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid
CID 63694639
4-[heptanoyl(methyl)amino]butanoic acid
CID 43172442
3-[[2-(2-methoxyethylamino)acetyl]-methylamino]propanoic acid
CID 79282817
4-[methyl(undec-10-enoyl)amino]butanoic acid
CID 10016696

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(methoxycarbonylamino)acetyl]-methylamino]pentanoic acid?
The IUPAC name of 5-[[2-(methoxycarbonylamino)acetyl]-methylamino]pentanoic acid (CID 88919020) is 5-[[2-(methoxycarbonylamino)acetyl]-methylamino]pentanoic acid.
What is the SMILES notation for 5-[[2-(methoxycarbonylamino)acetyl]-methylamino]pentanoic acid?
The canonical SMILES for 5-[[2-(methoxycarbonylamino)acetyl]-methylamino]pentanoic acid is COC(=O)NCC(=O)N(C)CCCCC(=O)O.
What is the InChIKey of 5-[[2-(methoxycarbonylamino)acetyl]-methylamino]pentanoic acid?
The InChIKey is RTTLGWPOHZYZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-12(6-4-3-5-9(14)15)8(13)7-11-10(16)17-2/h3-7H2,1-2H3,(H,11,16)(H,14,15).
What are the key properties of 5-[[2-(methoxycarbonylamino)acetyl]-methylamino]pentanoic acid?
5-[[2-(methoxycarbonylamino)acetyl]-methylamino]pentanoic acid has a molecular weight of 246.26 g/mol, XLogP of 0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(methoxycarbonylamino)acetyl]-methylamino]pentanoic acid is sourced from PubChem (CID 88919020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).