2-[carboxymethyl(1-tricyclo[3.3.1.03,7]nonanylcarbamoyl)amino]acetic acid

C14H20N2O5 — CID 135232399

IUPAC2-[carboxymethyl(1-tricyclo[3.3.1.03,7]nonanylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)NC12CC3CC(C1)C(C3)C2
InChIInChI=1S/C14H20N2O5/c17-11(18)6-16(7-12(19)20)13(21)15-14-3-8-1-9(4-14)10(2-8)5-14/h8-10H,1-7H2,(H,15,21)(H,17,18)(H,19,20)
InChIKeyUCQRXQSQHIFWTD-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.75
Rot. Bonds5

About 2-[carboxymethyl(1-tricyclo[3.3.1.03,7]nonanylcarbamoyl)amino]acetic acid

2-[carboxymethyl(1-tricyclo[3.3.1.03,7]nonanylcarbamoyl)amino]acetic acid (PubChem CID 135232399) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[carboxymethyl(1-tricyclo[3.3.1.03,7]nonanylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(1-tricyclo[3.3.1.03,7]nonanylcarbamoyl)amino]acetic acid
PubChem CID135232399
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[carboxymethyl(1-tricyclo[3.3.1.03,7]nonanylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)NC12CC3CC(C1)C(C3)C2
InChIInChI=1S/C14H20N2O5/c17-11(18)6-16(7-12(19)20)13(21)15-14-3-8-1-9(4-14)10(2-8)5-14/h8-10H,1-7H2,(H,15,21)(H,17,18)(H,19,20)
InChIKeyUCQRXQSQHIFWTD-UHFFFAOYSA-N
XLogP0.75
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[carboxymethyl(1-tricyclo[3.3.1.03,7]nonanylcarbamoyl)amino]acetic acid with MolForge

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Related Compounds

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CID 61233632
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3-(1-adamantyl)-1-benzyl-1-ethylurea
CID 108896014
3-(1-adamantyl)-1-(2-hydroxyethyl)-1-methylurea
CID 54879606
N-(4-hydroxy-1-adamantyl)acetamide
CID 14948121
N-[(3S,5R)-4-methyl-1-adamantyl]acetamide
CID 11896190
3-(1-adamantyl)-1-propyl-1-(thiophen-2-ylmethyl)urea
CID 6624810
2-[1-adamantylcarbamoyl(propyl)amino]-N-benzyl-N-(thiophen-2-ylmethyl)acetamide
CID 4029663
2-[1-adamantyl(hydroxy)amino]acetic acid
CID 87257505
3-(1-adamantylcarbamoylamino)butanoic acid
CID 23968433
N,2-bis(1-adamantyl)acetamide
CID 3906383
N-(1-adamantyl)-N',N'-bis(prop-2-enyl)oxamide
CID 108516835

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(1-tricyclo[3.3.1.03,7]nonanylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(1-tricyclo[3.3.1.03,7]nonanylcarbamoyl)amino]acetic acid (CID 135232399) is 2-[carboxymethyl(1-tricyclo[3.3.1.03,7]nonanylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(1-tricyclo[3.3.1.03,7]nonanylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(1-tricyclo[3.3.1.03,7]nonanylcarbamoyl)amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)NC12CC3CC(C1)C(C3)C2.
What is the InChIKey of 2-[carboxymethyl(1-tricyclo[3.3.1.03,7]nonanylcarbamoyl)amino]acetic acid?
The InChIKey is UCQRXQSQHIFWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c17-11(18)6-16(7-12(19)20)13(21)15-14-3-8-1-9(4-14)10(2-8)5-14/h8-10H,1-7H2,(H,15,21)(H,17,18)(H,19,20).
What are the key properties of 2-[carboxymethyl(1-tricyclo[3.3.1.03,7]nonanylcarbamoyl)amino]acetic acid?
2-[carboxymethyl(1-tricyclo[3.3.1.03,7]nonanylcarbamoyl)amino]acetic acid has a molecular weight of 296.32 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(1-tricyclo[3.3.1.03,7]nonanylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 135232399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).