2-[(1R,3S,4S)-1-(aminomethyl)-3-tert-butyl-4-propan-2-ylcyclopentyl]acetic acid

C15H29NO2 — CID 20598246

IUPAC2-[(1R,3S,4S)-1-(aminomethyl)-3-tert-butyl-4-propan-2-ylcyclopentyl]acetic acid
SMILESCC(C)[C@@H]1C[C@](CN)(CC(=O)O)C[C@@H]1C(C)(C)C
InChIInChI=1S/C15H29NO2/c1-10(2)11-6-15(9-16,8-13(17)18)7-12(11)14(3,4)5/h10-12H,6-9,16H2,1-5H3,(H,17,18)/t11-,12-,15+/m0/s1
InChIKeyMWNPRUZOYUKSQP-SLEUVZQESA-N
MW255.40 g/mol
LogP3.13
Rot. Bonds4

About 2-[(1R,3S,4S)-1-(aminomethyl)-3-tert-butyl-4-propan-2-ylcyclopentyl]acetic acid

2-[(1R,3S,4S)-1-(aminomethyl)-3-tert-butyl-4-propan-2-ylcyclopentyl]acetic acid (PubChem CID 20598246) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-[(1R,3S,4S)-1-(aminomethyl)-3-tert-butyl-4-propan-2-ylcyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,3S,4S)-1-(aminomethyl)-3-tert-butyl-4-propan-2-ylcyclopentyl]acetic acid
PubChem CID20598246
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-[(1R,3S,4S)-1-(aminomethyl)-3-tert-butyl-4-propan-2-ylcyclopentyl]acetic acid
SMILESCC(C)[C@@H]1C[C@](CN)(CC(=O)O)C[C@@H]1C(C)(C)C
InChIInChI=1S/C15H29NO2/c1-10(2)11-6-15(9-16,8-13(17)18)7-12(11)14(3,4)5/h10-12H,6-9,16H2,1-5H3,(H,17,18)/t11-,12-,15+/m0/s1
InChIKeyMWNPRUZOYUKSQP-SLEUVZQESA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R,3R,4S)-1-(aminomethyl)-3-tert-butyl-4-methylcyclopentyl]acetic acid
CID 20598285
2-[(1R,3S,4R)-1-(aminomethyl)-3-phenyl-4-propan-2-ylcyclopentyl]acetic acid
CID 20598255
2-[(1R,3S,4S)-1-(aminomethyl)-3-benzyl-4-tert-butylcyclopentyl]acetic acid
CID 20598267
2-[1-(aminomethyl)-3-butan-2-ylcyclobutyl]acetic acid
CID 142945921
2-[(3S,4S)-1-(aminomethyl)-3,4-diethylcyclopentyl]acetic acid
CID 46886675
2-[3-(aminomethyl)-3-bicyclo[3.1.0]hexanyl]acetic acid
CID 11557357
2-[1-(aminomethyl)-3-methoxycyclobutyl]acetic acid
CID 106824653
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid
CID 10776157
2-[(1S,3S,4S)-1-(aminomethyl)-3-benzyl-4-methylcyclopentyl]acetic acid
CID 20598308
2-(1-amino-3-tert-butylcyclobutyl)acetic acid
CID 174479770
2-[(3S,4R)-1-(aminomethyl)-3,4-dibenzylcyclopentyl]acetic acid
CID 69444578
2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid
CID 46227593

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S,4S)-1-(aminomethyl)-3-tert-butyl-4-propan-2-ylcyclopentyl]acetic acid?
The IUPAC name of 2-[(1R,3S,4S)-1-(aminomethyl)-3-tert-butyl-4-propan-2-ylcyclopentyl]acetic acid (CID 20598246) is 2-[(1R,3S,4S)-1-(aminomethyl)-3-tert-butyl-4-propan-2-ylcyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1R,3S,4S)-1-(aminomethyl)-3-tert-butyl-4-propan-2-ylcyclopentyl]acetic acid?
The canonical SMILES for 2-[(1R,3S,4S)-1-(aminomethyl)-3-tert-butyl-4-propan-2-ylcyclopentyl]acetic acid is CC(C)[C@@H]1C[C@](CN)(CC(=O)O)C[C@@H]1C(C)(C)C.
What is the InChIKey of 2-[(1R,3S,4S)-1-(aminomethyl)-3-tert-butyl-4-propan-2-ylcyclopentyl]acetic acid?
The InChIKey is MWNPRUZOYUKSQP-SLEUVZQESA-N. The full InChI is InChI=1S/C15H29NO2/c1-10(2)11-6-15(9-16,8-13(17)18)7-12(11)14(3,4)5/h10-12H,6-9,16H2,1-5H3,(H,17,18)/t11-,12-,15+/m0/s1.
What are the key properties of 2-[(1R,3S,4S)-1-(aminomethyl)-3-tert-butyl-4-propan-2-ylcyclopentyl]acetic acid?
2-[(1R,3S,4S)-1-(aminomethyl)-3-tert-butyl-4-propan-2-ylcyclopentyl]acetic acid has a molecular weight of 255.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3S,4S)-1-(aminomethyl)-3-tert-butyl-4-propan-2-ylcyclopentyl]acetic acid is sourced from PubChem (CID 20598246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).