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

C17H26N2O4 — CID 119369903

IUPAC(2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)O
InChIInChI=1S/C17H26N2O4/c1-10(16(22)23)19-15(21)9-18-14(20)8-17-5-11-2-12(6-17)4-13(3-11)7-17/h10-13H,2-9H2,1H3,(H,18,20)(H,19,21)(H,22,23)/t10-,11?,12?,13?,17?/m1/s1
InChIKeyULVIPYADESXWFE-LKBWSCCASA-N
MW322.41 g/mol
LogP1.30
Rot. Bonds6

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

(2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid (PubChem CID 119369903) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid
PubChem CID119369903
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name(2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)O
InChIInChI=1S/C17H26N2O4/c1-10(16(22)23)19-15(21)9-18-14(20)8-17-5-11-2-12(6-17)4-13(3-11)7-17/h10-13H,2-9H2,1H3,(H,18,20)(H,19,21)(H,22,23)/t10-,11?,12?,13?,17?/m1/s1
InChIKeyULVIPYADESXWFE-LKBWSCCASA-N
XLogP1.30
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid (CID 119369903) is (2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid is C[C@@H](NC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)O.
What is the InChIKey of (2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid?
The InChIKey is ULVIPYADESXWFE-LKBWSCCASA-N. The full InChI is InChI=1S/C17H26N2O4/c1-10(16(22)23)19-15(21)9-18-14(20)8-17-5-11-2-12(6-17)4-13(3-11)7-17/h10-13H,2-9H2,1H3,(H,18,20)(H,19,21)(H,22,23)/t10-,11?,12?,13?,17?/m1/s1.
What are the key properties of (2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid?
(2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid has a molecular weight of 322.41 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 119369903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).