2-[cyclopropylmethyl-(3,3,5,5-tetramethylcyclohexyl)amino]acetic acid

C16H29NO2 — CID 103961392

IUPAC2-[cyclopropylmethyl-(3,3,5,5-tetramethylcyclohexyl)amino]acetic acid
SMILESCC1(C)CC(N(CC(=O)O)CC2CC2)CC(C)(C)C1
InChIInChI=1S/C16H29NO2/c1-15(2)7-13(8-16(3,4)11-15)17(10-14(18)19)9-12-5-6-12/h12-13H,5-11H2,1-4H3,(H,18,19)
InChIKeyKZFUOEVLKBIADS-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.39
Rot. Bonds5

About 2-[cyclopropylmethyl-(3,3,5,5-tetramethylcyclohexyl)amino]acetic acid

2-[cyclopropylmethyl-(3,3,5,5-tetramethylcyclohexyl)amino]acetic acid (PubChem CID 103961392) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(3,3,5,5-tetramethylcyclohexyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(3,3,5,5-tetramethylcyclohexyl)amino]acetic acid
PubChem CID103961392
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-[cyclopropylmethyl-(3,3,5,5-tetramethylcyclohexyl)amino]acetic acid
SMILESCC1(C)CC(N(CC(=O)O)CC2CC2)CC(C)(C)C1
InChIInChI=1S/C16H29NO2/c1-15(2)7-13(8-16(3,4)11-15)17(10-14(18)19)9-12-5-6-12/h12-13H,5-11H2,1-4H3,(H,18,19)
InChIKeyKZFUOEVLKBIADS-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid
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2-[cyclopropylmethyl-[3-[(4,4-dimethylcyclohexyl)amino]cyclobutyl]amino]acetic acid
CID 122041865
2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid
CID 64728458
2-[(3,3-dimethylcyclopentyl)-ethylamino]acetic acid
CID 80698921
2-[cyclopropylmethyl-(3-ethylcyclopentyl)amino]acetic acid
CID 65055054
2-[cyclopentyl(cyclopentylmethyl)amino]acetic acid
CID 61342644
2-[cyclopropylmethyl-(1-ethylpiperidin-4-yl)amino]acetic acid
CID 65055001
2-[cyclopropylmethyl-(3-methoxycyclobutyl)amino]acetic acid
CID 106824276
2-[(3,3-dimethylcyclopentyl)-propylamino]acetic acid
CID 80699036
2-[cyclopropylmethyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894349

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(3,3,5,5-tetramethylcyclohexyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(3,3,5,5-tetramethylcyclohexyl)amino]acetic acid (CID 103961392) is 2-[cyclopropylmethyl-(3,3,5,5-tetramethylcyclohexyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(3,3,5,5-tetramethylcyclohexyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(3,3,5,5-tetramethylcyclohexyl)amino]acetic acid is CC1(C)CC(N(CC(=O)O)CC2CC2)CC(C)(C)C1.
What is the InChIKey of 2-[cyclopropylmethyl-(3,3,5,5-tetramethylcyclohexyl)amino]acetic acid?
The InChIKey is KZFUOEVLKBIADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-15(2)7-13(8-16(3,4)11-15)17(10-14(18)19)9-12-5-6-12/h12-13H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 2-[cyclopropylmethyl-(3,3,5,5-tetramethylcyclohexyl)amino]acetic acid?
2-[cyclopropylmethyl-(3,3,5,5-tetramethylcyclohexyl)amino]acetic acid has a molecular weight of 267.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(3,3,5,5-tetramethylcyclohexyl)amino]acetic acid is sourced from PubChem (CID 103961392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).