2-[1-(2-aminopropan-2-yl)-4-propan-2-ylcycloheptyl]acetic acid

C15H29NO2 — CID 66092109

IUPAC2-[1-(2-aminopropan-2-yl)-4-propan-2-ylcycloheptyl]acetic acid
SMILESCC(C)C1CCCC(CC(=O)O)(C(C)(C)N)CC1
InChIInChI=1S/C15H29NO2/c1-11(2)12-6-5-8-15(9-7-12,10-13(17)18)14(3,4)16/h11-12H,5-10,16H2,1-4H3,(H,17,18)
InChIKeyBNWZMBCUTHCASC-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.42
Rot. Bonds4

About 2-[1-(2-aminopropan-2-yl)-4-propan-2-ylcycloheptyl]acetic acid

2-[1-(2-aminopropan-2-yl)-4-propan-2-ylcycloheptyl]acetic acid (PubChem CID 66092109) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-[1-(2-aminopropan-2-yl)-4-propan-2-ylcycloheptyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-aminopropan-2-yl)-4-propan-2-ylcycloheptyl]acetic acid
PubChem CID66092109
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-[1-(2-aminopropan-2-yl)-4-propan-2-ylcycloheptyl]acetic acid
SMILESCC(C)C1CCCC(CC(=O)O)(C(C)(C)N)CC1
InChIInChI=1S/C15H29NO2/c1-11(2)12-6-5-8-15(9-7-12,10-13(17)18)14(3,4)16/h11-12H,5-10,16H2,1-4H3,(H,17,18)
InChIKeyBNWZMBCUTHCASC-UHFFFAOYSA-N
XLogP3.42
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-aminopropan-2-yl)-4-tert-butylcyclohexyl]acetic acid
CID 66092116
2-[1-(1-aminoethyl)-4-propan-2-ylcycloheptyl]acetic acid
CID 66096455
2-[3-(2-aminopropan-2-yl)thian-3-yl]acetic acid
CID 66089784
2-(1-hydroxy-3-propan-2-ylcyclohexyl)acetic acid
CID 83908321
2-[1-(azepan-1-yl)-4-propan-2-ylcyclohexyl]acetic acid
CID 64529282
2-[3-(2-aminopropan-2-yl)thiolan-3-yl]acetic acid
CID 66089316
2-(1-amino-3-propan-2-ylcyclobutyl)acetic acid
CID 103565035
2-(1-hydroxy-4-propan-2-ylcycloheptyl)pentanoic acid
CID 83042358
2,2-difluoro-2-(1-hydroxy-4-propan-2-ylcycloheptyl)acetic acid
CID 65090679
2-[1-[(4-propan-2-ylazepan-1-yl)methyl]cyclopropyl]acetic acid
CID 65497815
1,4-di(propan-2-yl)cycloheptan-1-amine
CID 65086898
2-[1-(3-propan-2-ylazetidin-1-yl)cyclobutyl]acetic acid
CID 79851479

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminopropan-2-yl)-4-propan-2-ylcycloheptyl]acetic acid?
The IUPAC name of 2-[1-(2-aminopropan-2-yl)-4-propan-2-ylcycloheptyl]acetic acid (CID 66092109) is 2-[1-(2-aminopropan-2-yl)-4-propan-2-ylcycloheptyl]acetic acid.
What is the SMILES notation for 2-[1-(2-aminopropan-2-yl)-4-propan-2-ylcycloheptyl]acetic acid?
The canonical SMILES for 2-[1-(2-aminopropan-2-yl)-4-propan-2-ylcycloheptyl]acetic acid is CC(C)C1CCCC(CC(=O)O)(C(C)(C)N)CC1.
What is the InChIKey of 2-[1-(2-aminopropan-2-yl)-4-propan-2-ylcycloheptyl]acetic acid?
The InChIKey is BNWZMBCUTHCASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-11(2)12-6-5-8-15(9-7-12,10-13(17)18)14(3,4)16/h11-12H,5-10,16H2,1-4H3,(H,17,18).
What are the key properties of 2-[1-(2-aminopropan-2-yl)-4-propan-2-ylcycloheptyl]acetic acid?
2-[1-(2-aminopropan-2-yl)-4-propan-2-ylcycloheptyl]acetic acid has a molecular weight of 255.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminopropan-2-yl)-4-propan-2-ylcycloheptyl]acetic acid is sourced from PubChem (CID 66092109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).