[(2R)-1-[2-(2-adamantylamino)acetyl]pyrrolidin-2-yl]boronic acid

C16H27BN2O3 — CID 15951544

IUPAC[(2R)-1-[2-(2-adamantylamino)acetyl]pyrrolidin-2-yl]boronic acid
SMILESO=C(CNC1C2CC3CC(C2)CC1C3)N1CCC[C@H]1B(O)O
InChIInChI=1S/C16H27BN2O3/c20-15(19-3-1-2-14(19)17(21)22)9-18-16-12-5-10-4-11(7-12)8-13(16)6-10/h10-14,16,18,21-22H,1-9H2/t10?,11?,12?,13?,14-,16?/m0/s1
InChIKeyBZOKGOVFXOVEJF-NUAPRZDKSA-N
MW306.22 g/mol
LogP0.40
Rot. Bonds4

About [(2R)-1-[2-(2-adamantylamino)acetyl]pyrrolidin-2-yl]boronic acid

[(2R)-1-[2-(2-adamantylamino)acetyl]pyrrolidin-2-yl]boronic acid (PubChem CID 15951544) has the molecular formula C16H27BN2O3 and a molecular weight of 306.22 g/mol. Its IUPAC name is [(2R)-1-[2-(2-adamantylamino)acetyl]pyrrolidin-2-yl]boronic acid.

Molecular Properties

Compound Name[(2R)-1-[2-(2-adamantylamino)acetyl]pyrrolidin-2-yl]boronic acid
PubChem CID15951544
Molecular FormulaC16H27BN2O3
Molecular Weight306.22 g/mol
Exact Mass306.21
IUPAC Name[(2R)-1-[2-(2-adamantylamino)acetyl]pyrrolidin-2-yl]boronic acid
SMILESO=C(CNC1C2CC3CC(C2)CC1C3)N1CCC[C@H]1B(O)O
InChIInChI=1S/C16H27BN2O3/c20-15(19-3-1-2-14(19)17(21)22)9-18-16-12-5-10-4-11(7-12)8-13(16)6-10/h10-14,16,18,21-22H,1-9H2/t10?,11?,12?,13?,14-,16?/m0/s1
InChIKeyBZOKGOVFXOVEJF-NUAPRZDKSA-N
XLogP0.40
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.22
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-[2-[(1-hydroxy-2-adamantyl)amino]acetyl]pyrrolidin-2-yl]boronic acid
CID 166640371
[(2S)-1-[2-[(4-hydroxycyclohexyl)amino]acetyl]pyrrolidin-2-yl]boronic acid
CID 11402969
2,3-dihydroxybutanedioic acid;[1-[2-(pyrrolidin-3-ylamino)acetyl]pyrrolidin-2-yl]boronic acid
CID 73203880
[(2R)-1-[2-(phenylcarbamoylamino)acetyl]pyrrolidin-2-yl]boronic acid
CID 15951641
[(2R)-1-[2-[[(1R)-1-phenylethyl]amino]acetyl]pyrrolidin-2-yl]boronic acid
CID 59210958
[(2R)-1-[2-(pyridine-4-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid
CID 71655265
2-(2-adamantylamino)acetic acid;hydrochloride
CID 163342547
[1-[2-[(4-fluorosulfinylbenzoyl)amino]acetyl]pyrrolidin-2-yl]boronic acid
CID 178032780
[1-[2-[(2-chloro-5-iodobenzoyl)amino]acetyl]pyrrolidin-2-yl]boronic acid
CID 45256851
[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]boronic acid
CID 143049707
[(2R)-1-[(2S)-2-(cyclopentylamino)propanoyl]pyrrolidin-2-yl]boronic acid
CID 11368811
[2-[(2R)-2-boronopyrrolidin-1-yl]-2-oxoethyl]-[(3R)-pyrrolidin-1-ium-3-yl]azanium
CID 59624138

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-(2-adamantylamino)acetyl]pyrrolidin-2-yl]boronic acid?
The IUPAC name of [(2R)-1-[2-(2-adamantylamino)acetyl]pyrrolidin-2-yl]boronic acid (CID 15951544) is [(2R)-1-[2-(2-adamantylamino)acetyl]pyrrolidin-2-yl]boronic acid.
What is the SMILES notation for [(2R)-1-[2-(2-adamantylamino)acetyl]pyrrolidin-2-yl]boronic acid?
The canonical SMILES for [(2R)-1-[2-(2-adamantylamino)acetyl]pyrrolidin-2-yl]boronic acid is O=C(CNC1C2CC3CC(C2)CC1C3)N1CCC[C@H]1B(O)O.
What is the InChIKey of [(2R)-1-[2-(2-adamantylamino)acetyl]pyrrolidin-2-yl]boronic acid?
The InChIKey is BZOKGOVFXOVEJF-NUAPRZDKSA-N. The full InChI is InChI=1S/C16H27BN2O3/c20-15(19-3-1-2-14(19)17(21)22)9-18-16-12-5-10-4-11(7-12)8-13(16)6-10/h10-14,16,18,21-22H,1-9H2/t10?,11?,12?,13?,14-,16?/m0/s1.
What are the key properties of [(2R)-1-[2-(2-adamantylamino)acetyl]pyrrolidin-2-yl]boronic acid?
[(2R)-1-[2-(2-adamantylamino)acetyl]pyrrolidin-2-yl]boronic acid has a molecular weight of 306.22 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-(2-adamantylamino)acetyl]pyrrolidin-2-yl]boronic acid is sourced from PubChem (CID 15951544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).