tert-butyl N-(1-aminocyclohexyl)carbamate;(2R)-2-hydroxy-2-phenylacetic acid

C19H30N2O5 — CID 154810075

IUPACtert-butyl N-(1-aminocyclohexyl)carbamate;(2R)-2-hydroxy-2-phenylacetic acid
SMILESCC(C)(C)OC(=O)NC1(N)CCCCC1.O=C(O)[C@H](O)c1ccccc1
InChIInChI=1S/C11H22N2O2.C8H8O3/c1-10(2,3)15-9(14)13-11(12)7-5-4-6-8-11;9-7(8(10)11)6-4-2-1-3-5-6/h4-8,12H2,1-3H3,(H,13,14);1-5,7,9H,(H,10,11)/t;7-/m.1/s1
InChIKeyAVKMBBIWRCIVIC-HMZWWLAASA-N
MW366.46 g/mol
LogP2.93
Rot. Bonds3

About tert-butyl N-(1-aminocyclohexyl)carbamate;(2R)-2-hydroxy-2-phenylacetic acid

tert-butyl N-(1-aminocyclohexyl)carbamate;(2R)-2-hydroxy-2-phenylacetic acid (PubChem CID 154810075) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is tert-butyl N-(1-aminocyclohexyl)carbamate;(2R)-2-hydroxy-2-phenylacetic acid.

Molecular Properties

Compound Nametert-butyl N-(1-aminocyclohexyl)carbamate;(2R)-2-hydroxy-2-phenylacetic acid
PubChem CID154810075
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Nametert-butyl N-(1-aminocyclohexyl)carbamate;(2R)-2-hydroxy-2-phenylacetic acid
SMILESCC(C)(C)OC(=O)NC1(N)CCCCC1.O=C(O)[C@H](O)c1ccccc1
InChIInChI=1S/C11H22N2O2.C8H8O3/c1-10(2,3)15-9(14)13-11(12)7-5-4-6-8-11;9-7(8(10)11)6-4-2-1-3-5-6/h4-8,12H2,1-3H3,(H,13,14);1-5,7,9H,(H,10,11)/t;7-/m.1/s1
InChIKeyAVKMBBIWRCIVIC-HMZWWLAASA-N
XLogP2.93
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-aminocyclohexyl)carbamate;(2R)-2-hydroxy-2-phenylacetic acid?
The IUPAC name of tert-butyl N-(1-aminocyclohexyl)carbamate;(2R)-2-hydroxy-2-phenylacetic acid (CID 154810075) is tert-butyl N-(1-aminocyclohexyl)carbamate;(2R)-2-hydroxy-2-phenylacetic acid.
What is the SMILES notation for tert-butyl N-(1-aminocyclohexyl)carbamate;(2R)-2-hydroxy-2-phenylacetic acid?
The canonical SMILES for tert-butyl N-(1-aminocyclohexyl)carbamate;(2R)-2-hydroxy-2-phenylacetic acid is CC(C)(C)OC(=O)NC1(N)CCCCC1.O=C(O)[C@H](O)c1ccccc1.
What is the InChIKey of tert-butyl N-(1-aminocyclohexyl)carbamate;(2R)-2-hydroxy-2-phenylacetic acid?
The InChIKey is AVKMBBIWRCIVIC-HMZWWLAASA-N. The full InChI is InChI=1S/C11H22N2O2.C8H8O3/c1-10(2,3)15-9(14)13-11(12)7-5-4-6-8-11;9-7(8(10)11)6-4-2-1-3-5-6/h4-8,12H2,1-3H3,(H,13,14);1-5,7,9H,(H,10,11)/t;7-/m.1/s1.
What are the key properties of tert-butyl N-(1-aminocyclohexyl)carbamate;(2R)-2-hydroxy-2-phenylacetic acid?
tert-butyl N-(1-aminocyclohexyl)carbamate;(2R)-2-hydroxy-2-phenylacetic acid has a molecular weight of 366.46 g/mol, XLogP of 2.93, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-aminocyclohexyl)carbamate;(2R)-2-hydroxy-2-phenylacetic acid is sourced from PubChem (CID 154810075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).