2-[(1R,3S,4S)-1-(aminomethyl)-3-benzyl-4-tert-butylcyclopentyl]acetic acid

C19H29NO2 — CID 20598267

IUPAC2-[(1R,3S,4S)-1-(aminomethyl)-3-benzyl-4-tert-butylcyclopentyl]acetic acid
SMILESCC(C)(C)[C@H]1C[C@@](CN)(CC(=O)O)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H29NO2/c1-18(2,3)16-11-19(13-20,12-17(21)22)10-15(16)9-14-7-5-4-6-8-14/h4-8,15-16H,9-13,20H2,1-3H3,(H,21,22)/t15-,16-,19+/m0/s1
InChIKeyWVCARLZWNPITHM-TXPKVOOTSA-N
MW303.45 g/mol
LogP3.72
Rot. Bonds5

About 2-[(1R,3S,4S)-1-(aminomethyl)-3-benzyl-4-tert-butylcyclopentyl]acetic acid

2-[(1R,3S,4S)-1-(aminomethyl)-3-benzyl-4-tert-butylcyclopentyl]acetic acid (PubChem CID 20598267) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-[(1R,3S,4S)-1-(aminomethyl)-3-benzyl-4-tert-butylcyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,3S,4S)-1-(aminomethyl)-3-benzyl-4-tert-butylcyclopentyl]acetic acid
PubChem CID20598267
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name2-[(1R,3S,4S)-1-(aminomethyl)-3-benzyl-4-tert-butylcyclopentyl]acetic acid
SMILESCC(C)(C)[C@H]1C[C@@](CN)(CC(=O)O)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H29NO2/c1-18(2,3)16-11-19(13-20,12-17(21)22)10-15(16)9-14-7-5-4-6-8-14/h4-8,15-16H,9-13,20H2,1-3H3,(H,21,22)/t15-,16-,19+/m0/s1
InChIKeyWVCARLZWNPITHM-TXPKVOOTSA-N
XLogP3.72
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3S,4R)-1-(aminomethyl)-3,4-dibenzylcyclopentyl]acetic acid
CID 69444578
2-[(1S,3S,4S)-1-(aminomethyl)-3-benzyl-4-methylcyclopentyl]acetic acid
CID 20598308
2-[(1R,3R,4S)-1-(aminomethyl)-3-tert-butyl-4-methylcyclopentyl]acetic acid
CID 20598285
2-[(1S)-1-(aminomethyl)-3-benzylcyclopentyl]acetic acid
CID 69439293
2-[(1R,3S,4S)-1-(aminomethyl)-3-tert-butyl-4-propan-2-ylcyclopentyl]acetic acid
CID 20598246
2-[(3S,4S)-1-(aminomethyl)-3,4-diethylcyclopentyl]acetic acid
CID 46886675
2-[(1R,3S,4R)-1-(aminomethyl)-3-phenyl-4-propan-2-ylcyclopentyl]acetic acid
CID 20598255
2-[3-(aminomethyl)-3-bicyclo[3.1.0]hexanyl]acetic acid
CID 11557357
2-[(1R,3R)-1-benzyl-3-methylcyclopentyl]acetic acid
CID 58626987
(2-benzylcyclopropyl)methanamine
CID 56605942
2-[(3S,4S)-1-(aminomethyl)-3,4-bis(9H-fluoren-1-yl)cyclopentyl]acetic acid
CID 150789413
2-[2-(aminomethyl)-4-(methylamino)-1,3-dihydroinden-2-yl]acetic acid
CID 10130874

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S,4S)-1-(aminomethyl)-3-benzyl-4-tert-butylcyclopentyl]acetic acid?
The IUPAC name of 2-[(1R,3S,4S)-1-(aminomethyl)-3-benzyl-4-tert-butylcyclopentyl]acetic acid (CID 20598267) is 2-[(1R,3S,4S)-1-(aminomethyl)-3-benzyl-4-tert-butylcyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1R,3S,4S)-1-(aminomethyl)-3-benzyl-4-tert-butylcyclopentyl]acetic acid?
The canonical SMILES for 2-[(1R,3S,4S)-1-(aminomethyl)-3-benzyl-4-tert-butylcyclopentyl]acetic acid is CC(C)(C)[C@H]1C[C@@](CN)(CC(=O)O)C[C@@H]1Cc1ccccc1.
What is the InChIKey of 2-[(1R,3S,4S)-1-(aminomethyl)-3-benzyl-4-tert-butylcyclopentyl]acetic acid?
The InChIKey is WVCARLZWNPITHM-TXPKVOOTSA-N. The full InChI is InChI=1S/C19H29NO2/c1-18(2,3)16-11-19(13-20,12-17(21)22)10-15(16)9-14-7-5-4-6-8-14/h4-8,15-16H,9-13,20H2,1-3H3,(H,21,22)/t15-,16-,19+/m0/s1.
What are the key properties of 2-[(1R,3S,4S)-1-(aminomethyl)-3-benzyl-4-tert-butylcyclopentyl]acetic acid?
2-[(1R,3S,4S)-1-(aminomethyl)-3-benzyl-4-tert-butylcyclopentyl]acetic acid has a molecular weight of 303.45 g/mol, XLogP of 3.72, 5 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-benzyl-4-tert-butylcyclopentyl]acetic acid is sourced from PubChem (CID 20598267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).