(3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid

C21H22N2O4 — CID 167735642

IUPAC(3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
SMILESN[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC[C@@H]1C(=O)O
InChIInChI=1S/C21H22N2O4/c22-19-11-23(10-9-17(19)20(24)25)21(26)27-12-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-8,17-19H,9-12,22H2,(H,24,25)/t17-,19+/m0/s1
InChIKeyCCUYJPANZVMXQH-PKOBYXMFSA-N
MW366.42 g/mol
LogP2.67
Rot. Bonds3

About (3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid

(3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid (PubChem CID 167735642) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
PubChem CID167735642
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
SMILESN[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC[C@@H]1C(=O)O
InChIInChI=1S/C21H22N2O4/c22-19-11-23(10-9-17(19)20(24)25)21(26)27-12-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-8,17-19H,9-12,22H2,(H,24,25)/t17-,19+/m0/s1
InChIKeyCCUYJPANZVMXQH-PKOBYXMFSA-N
XLogP2.67
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-3-carboxylic acid
CID 53395529
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
(3R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 59904204
2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 141413081
1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 125423518
trans-(1R,2S)-2-[1-(9H-fluoren-9-ylmethoxycarbonyl)azetidin-3-yl]cyclopropane-1-carboxylic acid
CID 146081972
9H-fluoren-9-ylmethyl (4aR,7aS)-6-amino-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine-2-carboxylate
CID 178202530
(3R,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 75525905
9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 76652146
(2R,3R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 171338123
1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpiperidine-4-carboxylic acid
CID 167717175
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid?
The IUPAC name of (3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid (CID 167735642) is (3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for (3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for (3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid is N[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC[C@@H]1C(=O)O.
What is the InChIKey of (3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid?
The InChIKey is CCUYJPANZVMXQH-PKOBYXMFSA-N. The full InChI is InChI=1S/C21H22N2O4/c22-19-11-23(10-9-17(19)20(24)25)21(26)27-12-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-8,17-19H,9-12,22H2,(H,24,25)/t17-,19+/m0/s1.
What are the key properties of (3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid?
(3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid has a molecular weight of 366.42 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 167735642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).