1-[(2R)-2-(1-adamantyl)-2-(methylamino)acetyl]oxyethyl 2-methylpropanoate

C19H31NO4 — CID 171426107

IUPAC1-[(2R)-2-(1-adamantyl)-2-(methylamino)acetyl]oxyethyl 2-methylpropanoate
SMILESCN[C@@H](C(=O)OC(C)OC(=O)C(C)C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H31NO4/c1-11(2)17(21)23-12(3)24-18(22)16(20-4)19-8-13-5-14(9-19)7-15(6-13)10-19/h11-16,20H,5-10H2,1-4H3/t12?,13?,14?,15?,16-,19?/m0/s1
InChIKeyGBMFEHRGYONVDO-INCKADGYSA-N
MW337.46 g/mol
LogP2.88
Rot. Bonds6

About 1-[(2R)-2-(1-adamantyl)-2-(methylamino)acetyl]oxyethyl 2-methylpropanoate

1-[(2R)-2-(1-adamantyl)-2-(methylamino)acetyl]oxyethyl 2-methylpropanoate (PubChem CID 171426107) has the molecular formula C19H31NO4 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-[(2R)-2-(1-adamantyl)-2-(methylamino)acetyl]oxyethyl 2-methylpropanoate.

Molecular Properties

Compound Name1-[(2R)-2-(1-adamantyl)-2-(methylamino)acetyl]oxyethyl 2-methylpropanoate
PubChem CID171426107
Molecular FormulaC19H31NO4
Molecular Weight337.46 g/mol
Exact Mass337.23
IUPAC Name1-[(2R)-2-(1-adamantyl)-2-(methylamino)acetyl]oxyethyl 2-methylpropanoate
SMILESCN[C@@H](C(=O)OC(C)OC(=O)C(C)C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H31NO4/c1-11(2)17(21)23-12(3)24-18(22)16(20-4)19-8-13-5-14(9-19)7-15(6-13)10-19/h11-16,20H,5-10H2,1-4H3/t12?,13?,14?,15?,16-,19?/m0/s1
InChIKeyGBMFEHRGYONVDO-INCKADGYSA-N
XLogP2.88
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1-adamantyl)-2-(methylamino)acetic acid
CID 11229817
methyl (2R)-2-(1-adamantyl)-2-(propan-2-ylcarbamoylamino)acetate
CID 7233068
(1R)-1-(1-adamantyl)ethanamine
CID 7048786
[(1R)-1-(1-adamantyl)-2-methoxy-2-oxoethyl]azanium
CID 7482124
methyl 2-(1-adamantyl)-2-[(2,2,2-trifluoroacetyl)amino]acetate
CID 2835991
(2S)-2-acetamido-2-(1-adamantyl)acetic acid
CID 11253749
methyl 2-(1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 171922242
1-O-(1-adamantyl) 4-O-(1-methoxyethyl) 2,3-dimethylbutanedioate
CID 54181977
N-[1-(1-adamantyl)ethyl]-2-aminoacetamide;hydrochloride
CID 119263793
[(1R)-1-acetyloxyethyl] adamantane-1-carboxylate
CID 137488462
3-(1-adamantyl)pentan-2-yl carbamate
CID 57081308
(2R)-2-[[(1R)-1-(1-adamantyl)ethyl]amino]-N-methylpropanamide
CID 9372884

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(1-adamantyl)-2-(methylamino)acetyl]oxyethyl 2-methylpropanoate?
The IUPAC name of 1-[(2R)-2-(1-adamantyl)-2-(methylamino)acetyl]oxyethyl 2-methylpropanoate (CID 171426107) is 1-[(2R)-2-(1-adamantyl)-2-(methylamino)acetyl]oxyethyl 2-methylpropanoate.
What is the SMILES notation for 1-[(2R)-2-(1-adamantyl)-2-(methylamino)acetyl]oxyethyl 2-methylpropanoate?
The canonical SMILES for 1-[(2R)-2-(1-adamantyl)-2-(methylamino)acetyl]oxyethyl 2-methylpropanoate is CN[C@@H](C(=O)OC(C)OC(=O)C(C)C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[(2R)-2-(1-adamantyl)-2-(methylamino)acetyl]oxyethyl 2-methylpropanoate?
The InChIKey is GBMFEHRGYONVDO-INCKADGYSA-N. The full InChI is InChI=1S/C19H31NO4/c1-11(2)17(21)23-12(3)24-18(22)16(20-4)19-8-13-5-14(9-19)7-15(6-13)10-19/h11-16,20H,5-10H2,1-4H3/t12?,13?,14?,15?,16-,19?/m0/s1.
What are the key properties of 1-[(2R)-2-(1-adamantyl)-2-(methylamino)acetyl]oxyethyl 2-methylpropanoate?
1-[(2R)-2-(1-adamantyl)-2-(methylamino)acetyl]oxyethyl 2-methylpropanoate has a molecular weight of 337.46 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(1-adamantyl)-2-(methylamino)acetyl]oxyethyl 2-methylpropanoate is sourced from PubChem (CID 171426107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).