2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]acetic acid

C16H25NO3 — CID 2961177

IUPAC2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]acetic acid
SMILESCC12CC3(C)CC(C)(C1)CC(C(=O)NCC(=O)O)(C2)C3
InChIInChI=1S/C16H25NO3/c1-13-5-14(2)7-15(3,6-13)10-16(8-13,9-14)12(20)17-4-11(18)19/h4-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyUAADLZTZNMDVDA-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.57
Rot. Bonds3

About 2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]acetic acid

2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]acetic acid (PubChem CID 2961177) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]acetic acid
PubChem CID2961177
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]acetic acid
SMILESCC12CC3(C)CC(C)(C1)CC(C(=O)NCC(=O)O)(C2)C3
InChIInChI=1S/C16H25NO3/c1-13-5-14(2)7-15(3,6-13)10-16(8-13,9-14)12(20)17-4-11(18)19/h4-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyUAADLZTZNMDVDA-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-Adamantylcarbonyl)amino]propanoic acid
CID 2456580
2-[2-(Adamantan-1-yl)acetamido]acetic acid
CID 975120
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-(Tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)-L-leucine methyl ester
CID 10990457
N-(Hydroxy(1-methyl-4-(4-methylpentyl)cyclohexyl)methylidene)glycine
CID 3053407
2-[(1-Adamantylcarbonyl)amino]-3-methylbutanoic acid
CID 2999992

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]acetic acid (CID 2961177) is 2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]acetic acid is CC12CC3(C)CC(C)(C1)CC(C(=O)NCC(=O)O)(C2)C3.
What is the InChIKey of 2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]acetic acid?
The InChIKey is UAADLZTZNMDVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-13-5-14(2)7-15(3,6-13)10-16(8-13,9-14)12(20)17-4-11(18)19/h4-10H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]acetic acid?
2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]acetic acid has a molecular weight of 279.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 2961177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).