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

C15H23NO3 — CID 2770857

IUPAC2-[[2-(1-adamantyl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)O
InChIInChI=1S/C15H23NO3/c1-9(14(18)19)16-13(17)8-15-5-10-2-11(6-15)4-12(3-10)7-15/h9-12H,2-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyCXHIRCRLTNKXRG-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.18
Rot. Bonds4

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

2-[[2-(1-adamantyl)acetyl]amino]propanoic acid (PubChem CID 2770857) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[[2-(1-adamantyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(1-adamantyl)acetyl]amino]propanoic acid
PubChem CID2770857
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[[2-(1-adamantyl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)O
InChIInChI=1S/C15H23NO3/c1-9(14(18)19)16-13(17)8-15-5-10-2-11(6-15)4-12(3-10)7-15/h9-12H,2-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyCXHIRCRLTNKXRG-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.18
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
{3-[1-(Acetylamino)ethyl]-1-adamantyl}acetic acid
CID 2941853
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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-adamantyl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(1-adamantyl)acetyl]amino]propanoic acid (CID 2770857) is 2-[[2-(1-adamantyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(1-adamantyl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(1-adamantyl)acetyl]amino]propanoic acid is CC(NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)O.
What is the InChIKey of 2-[[2-(1-adamantyl)acetyl]amino]propanoic acid?
The InChIKey is CXHIRCRLTNKXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9(14(18)19)16-13(17)8-15-5-10-2-11(6-15)4-12(3-10)7-15/h9-12H,2-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(1-adamantyl)acetyl]amino]propanoic acid?
2-[[2-(1-adamantyl)acetyl]amino]propanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.18, 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]propanoic acid is sourced from PubChem (CID 2770857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).