2-[[2-(1-adamantyl)acetyl]amino]acetic acid

C14H21NO3 — CID 975120

IUPAC2-[[2-(1-adamantyl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H21NO3/c16-12(15-8-13(17)18)7-14-4-9-1-10(5-14)3-11(2-9)6-14/h9-11H,1-8H2,(H,15,16)(H,17,18)
InChIKeyYGGZZKSHIOWKII-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.79
Rot. Bonds4

About 2-[[2-(1-adamantyl)acetyl]amino]acetic acid

2-[[2-(1-adamantyl)acetyl]amino]acetic acid (PubChem CID 975120) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[[2-(1-adamantyl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(1-adamantyl)acetyl]amino]acetic acid
PubChem CID975120
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[[2-(1-adamantyl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H21NO3/c16-12(15-8-13(17)18)7-14-4-9-1-10(5-14)3-11(2-9)6-14/h9-11H,1-8H2,(H,15,16)(H,17,18)
InChIKeyYGGZZKSHIOWKII-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-Adamantylcarbonyl)amino]propanoic acid
CID 2456580
N-[(3,5,7-trimethyl-1-adamantyl)carbonyl]alanine
CID 2882015
Methyl 2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]acetate
CID 2944994
(2S)-2-(Adamantanylcarbonylamino)-4-methylpentanoic acid
CID 510499
2-[(1-Adamantylacetyl)amino]propanoic acid
CID 2770857
2-[(1-Adamantylacetyl)amino]-3-methylbutanoic acid
CID 3241135
2-[(3-Chloroadamantan-1-yl)formamido]acetic acid
CID 2771139
Ethyl 2-(adamantane-1-carbonylamino)acetate
CID 4120007
N-[(3,5,7-trimethyl-1-adamantyl)carbonyl]glycine
CID 2961177
N-(Tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)-L-leucine methyl ester
CID 10990457
DL-Aspartic acid, N-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)-
CID 64618
N-(Hydroxy(1-methyl-4-(4-methylpentyl)cyclohexyl)methylidene)glycine
CID 3053407

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-adamantyl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(1-adamantyl)acetyl]amino]acetic acid (CID 975120) is 2-[[2-(1-adamantyl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(1-adamantyl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(1-adamantyl)acetyl]amino]acetic acid is O=C(O)CNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[[2-(1-adamantyl)acetyl]amino]acetic acid?
The InChIKey is YGGZZKSHIOWKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c16-12(15-8-13(17)18)7-14-4-9-1-10(5-14)3-11(2-9)6-14/h9-11H,1-8H2,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(1-adamantyl)acetyl]amino]acetic acid?
2-[[2-(1-adamantyl)acetyl]amino]acetic acid has a molecular weight of 251.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-adamantyl)acetyl]amino]acetic acid is sourced from PubChem (CID 975120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).