methyl (2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-methylpentanoate

C24H29NO4 — CID 46930137

IUPACmethyl (2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-methylpentanoate
SMILESCCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(C)C)C(=O)OC
InChIInChI=1S/C24H29NO4/c1-5-25(22(14-16(2)3)23(26)28-4)24(27)29-15-21-19-12-8-6-10-17(19)18-11-7-9-13-20(18)21/h6-13,16,21-22H,5,14-15H2,1-4H3/t22-/m0/s1
InChIKeyMVPDPDPVNBRIPX-QFIPXVFZSA-N
MW395.50 g/mol
LogP4.85
Rot. Bonds7

About methyl (2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-methylpentanoate

methyl (2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-methylpentanoate (PubChem CID 46930137) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is methyl (2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-methylpentanoate
PubChem CID46930137
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Namemethyl (2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-methylpentanoate
SMILESCCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(C)C)C(=O)OC
InChIInChI=1S/C24H29NO4/c1-5-25(22(14-16(2)3)23(26)28-4)24(27)29-15-21-19-12-8-6-10-17(19)18-11-7-9-13-20(18)21/h6-13,16,21-22H,5,14-15H2,1-4H3/t22-/m0/s1
InChIKeyMVPDPDPVNBRIPX-QFIPXVFZSA-N
XLogP4.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 18650330
2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-methoxy-4-methylpentanoic acid
CID 106676038
2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-ethylsulfanylbutanoic acid
CID 104881865
(2S)-2-[[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoyl]-methylamino]-4-methylpentanoic acid
CID 170225875
1-O-tert-butyl 4-O-prop-2-enyl (2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]butanedioate
CID 155135673
1-O-methyl 4-O-prop-2-enyl (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]butanedioate
CID 169230600
2-[9H-fluoren-9-ylmethoxycarbonyl(1-hydroxyethyl)amino]acetic acid
CID 22364292
(3S)-4-(dimethylamino)-3-[[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-methylpentanoyl]-methylamino]-4-oxobutanoic acid
CID 167140710
tert-butyl (2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-3-(4-methylphenyl)propanoate
CID 155135625
2-[9H-fluoren-9-ylmethoxycarbonyl(methoxycarbonyl)amino]propanoic acid
CID 174989747
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(3-methylbutyl)amino]-3-sulfanylpropanoic acid
CID 155906592
2-[benzyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 78063599

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-methylpentanoate?
The IUPAC name of methyl (2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-methylpentanoate (CID 46930137) is methyl (2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl (2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-methylpentanoate?
The canonical SMILES for methyl (2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-methylpentanoate is CCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(C)C)C(=O)OC.
What is the InChIKey of methyl (2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-methylpentanoate?
The InChIKey is MVPDPDPVNBRIPX-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H29NO4/c1-5-25(22(14-16(2)3)23(26)28-4)24(27)29-15-21-19-12-8-6-10-17(19)18-11-7-9-13-20(18)21/h6-13,16,21-22H,5,14-15H2,1-4H3/t22-/m0/s1.
What are the key properties of methyl (2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-methylpentanoate?
methyl (2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-methylpentanoate has a molecular weight of 395.50 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-methylpentanoate is sourced from PubChem (CID 46930137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).