2-cyclopropyl-2-[(1-hydroxycyclohexyl)methylamino]acetic acid

C12H21NO3 — CID 65213323

IUPAC2-cyclopropyl-2-[(1-hydroxycyclohexyl)methylamino]acetic acid
SMILESO=C(O)C(NCC1(O)CCCCC1)C1CC1
InChIInChI=1S/C12H21NO3/c14-11(15)10(9-4-5-9)13-8-12(16)6-2-1-3-7-12/h9-10,13,16H,1-8H2,(H,14,15)
InChIKeyBMGMKWURZCMXQW-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.13
Rot. Bonds5

About 2-cyclopropyl-2-[(1-hydroxycyclohexyl)methylamino]acetic acid

2-cyclopropyl-2-[(1-hydroxycyclohexyl)methylamino]acetic acid (PubChem CID 65213323) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(1-hydroxycyclohexyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(1-hydroxycyclohexyl)methylamino]acetic acid
PubChem CID65213323
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-cyclopropyl-2-[(1-hydroxycyclohexyl)methylamino]acetic acid
SMILESO=C(O)C(NCC1(O)CCCCC1)C1CC1
InChIInChI=1S/C12H21NO3/c14-11(15)10(9-4-5-9)13-8-12(16)6-2-1-3-7-12/h9-10,13,16H,1-8H2,(H,14,15)
InChIKeyBMGMKWURZCMXQW-UHFFFAOYSA-N
XLogP1.13
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(1-hydroxycyclohexyl)methylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(1-hydroxycyclohexyl)methylamino]acetic acid (CID 65213323) is 2-cyclopropyl-2-[(1-hydroxycyclohexyl)methylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(1-hydroxycyclohexyl)methylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(1-hydroxycyclohexyl)methylamino]acetic acid is O=C(O)C(NCC1(O)CCCCC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(1-hydroxycyclohexyl)methylamino]acetic acid?
The InChIKey is BMGMKWURZCMXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c14-11(15)10(9-4-5-9)13-8-12(16)6-2-1-3-7-12/h9-10,13,16H,1-8H2,(H,14,15).
What are the key properties of 2-cyclopropyl-2-[(1-hydroxycyclohexyl)methylamino]acetic acid?
2-cyclopropyl-2-[(1-hydroxycyclohexyl)methylamino]acetic acid has a molecular weight of 227.30 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(1-hydroxycyclohexyl)methylamino]acetic acid is sourced from PubChem (CID 65213323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).