(2S)-2-amino-N-(2-cyclopropylethyl)-2-(3-hydroxy-1-adamantyl)acetamide

C17H28N2O2 — CID 70339285

IUPAC(2S)-2-amino-N-(2-cyclopropylethyl)-2-(3-hydroxy-1-adamantyl)acetamide
SMILESN[C@H](C(=O)NCCC1CC1)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C17H28N2O2/c18-14(15(20)19-4-3-11-1-2-11)16-6-12-5-13(7-16)9-17(21,8-12)10-16/h11-14,21H,1-10,18H2,(H,19,20)/t12?,13?,14-,16?,17?/m1/s1
InChIKeyTXSGIABTVFRKNW-JULPFRMLSA-N
MW292.42 g/mol
LogP1.56
Rot. Bonds5

About (2S)-2-amino-N-(2-cyclopropylethyl)-2-(3-hydroxy-1-adamantyl)acetamide

(2S)-2-amino-N-(2-cyclopropylethyl)-2-(3-hydroxy-1-adamantyl)acetamide (PubChem CID 70339285) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-cyclopropylethyl)-2-(3-hydroxy-1-adamantyl)acetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-cyclopropylethyl)-2-(3-hydroxy-1-adamantyl)acetamide
PubChem CID70339285
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(2S)-2-amino-N-(2-cyclopropylethyl)-2-(3-hydroxy-1-adamantyl)acetamide
SMILESN[C@H](C(=O)NCCC1CC1)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C17H28N2O2/c18-14(15(20)19-4-3-11-1-2-11)16-6-12-5-13(7-16)9-17(21,8-12)10-16/h11-14,21H,1-10,18H2,(H,19,20)/t12?,13?,14-,16?,17?/m1/s1
InChIKeyTXSGIABTVFRKNW-JULPFRMLSA-N
XLogP1.56
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-cyclopropylethyl)-2-(3-hydroxy-1-adamantyl)acetamide?
The IUPAC name of (2S)-2-amino-N-(2-cyclopropylethyl)-2-(3-hydroxy-1-adamantyl)acetamide (CID 70339285) is (2S)-2-amino-N-(2-cyclopropylethyl)-2-(3-hydroxy-1-adamantyl)acetamide.
What is the SMILES notation for (2S)-2-amino-N-(2-cyclopropylethyl)-2-(3-hydroxy-1-adamantyl)acetamide?
The canonical SMILES for (2S)-2-amino-N-(2-cyclopropylethyl)-2-(3-hydroxy-1-adamantyl)acetamide is N[C@H](C(=O)NCCC1CC1)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of (2S)-2-amino-N-(2-cyclopropylethyl)-2-(3-hydroxy-1-adamantyl)acetamide?
The InChIKey is TXSGIABTVFRKNW-JULPFRMLSA-N. The full InChI is InChI=1S/C17H28N2O2/c18-14(15(20)19-4-3-11-1-2-11)16-6-12-5-13(7-16)9-17(21,8-12)10-16/h11-14,21H,1-10,18H2,(H,19,20)/t12?,13?,14-,16?,17?/m1/s1.
What are the key properties of (2S)-2-amino-N-(2-cyclopropylethyl)-2-(3-hydroxy-1-adamantyl)acetamide?
(2S)-2-amino-N-(2-cyclopropylethyl)-2-(3-hydroxy-1-adamantyl)acetamide has a molecular weight of 292.42 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-cyclopropylethyl)-2-(3-hydroxy-1-adamantyl)acetamide is sourced from PubChem (CID 70339285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).