(2R)-2-[[[(1R)-1-(9H-fluoren-9-yl)ethoxy]carbonylamino]methyl]-4-methylpentanoic acid

C23H27NO4 — CID 71654615

IUPAC(2R)-2-[[[(1R)-1-(9H-fluoren-9-yl)ethoxy]carbonylamino]methyl]-4-methylpentanoic acid
SMILESCC(C)C[C@H](CNC(=O)O[C@H](C)C1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C23H27NO4/c1-14(2)12-16(22(25)26)13-24-23(27)28-15(3)21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,14-16,21H,12-13H2,1-3H3,(H,24,27)(H,25,26)/t15-,16-/m1/s1
InChIKeyBLTRYQAPSNFBLB-HZPDHXFCSA-N
MW381.47 g/mol
LogP4.66
Rot. Bonds7

About (2R)-2-[[[(1R)-1-(9H-fluoren-9-yl)ethoxy]carbonylamino]methyl]-4-methylpentanoic acid

(2R)-2-[[[(1R)-1-(9H-fluoren-9-yl)ethoxy]carbonylamino]methyl]-4-methylpentanoic acid (PubChem CID 71654615) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is (2R)-2-[[[(1R)-1-(9H-fluoren-9-yl)ethoxy]carbonylamino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[[(1R)-1-(9H-fluoren-9-yl)ethoxy]carbonylamino]methyl]-4-methylpentanoic acid
PubChem CID71654615
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name(2R)-2-[[[(1R)-1-(9H-fluoren-9-yl)ethoxy]carbonylamino]methyl]-4-methylpentanoic acid
SMILESCC(C)C[C@H](CNC(=O)O[C@H](C)C1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C23H27NO4/c1-14(2)12-16(22(25)26)13-24-23(27)28-15(3)21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,14-16,21H,12-13H2,1-3H3,(H,24,27)(H,25,26)/t15-,16-/m1/s1
InChIKeyBLTRYQAPSNFBLB-HZPDHXFCSA-N
XLogP4.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[[(1R)-1-(9H-fluoren-9-yl)ethoxy]carbonylamino]methyl]-4-methylpentanoic acid with MolForge

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Related Compounds

(3R)-3-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4-methylpentanoyl]amino]butanoic acid
CID 165498207
2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4-methylpentanoic acid
CID 58273355
(2S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-hydroxypropanoic acid
CID 118704938
(2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-[3-(2-methylpropyl)phenyl]propanoic acid
CID 170899360
(3R,4R)-1-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4-methylpentanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 178191631
9H-fluoren-9-ylmethyl N-[(2S,5R)-2-amino-5-carbamoyl-7-methyl-3-oxooctyl]carbamate
CID 159979208
4-methyl-2-[(2-phenylmethoxypropanoylamino)methyl]pentanoic acid
CID 119252750
2-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]-4-methylpentanoic acid
CID 119252720
(2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-(4-methoxyphenyl)propanoic acid
CID 7014947
(2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4-oxo-4-(tritylamino)butanoic acid
CID 23231891
2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]hex-5-enoic acid
CID 178201093
2-[[(2,6-dimethylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 103925730

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[[(1R)-1-(9H-fluoren-9-yl)ethoxy]carbonylamino]methyl]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[[(1R)-1-(9H-fluoren-9-yl)ethoxy]carbonylamino]methyl]-4-methylpentanoic acid (CID 71654615) is (2R)-2-[[[(1R)-1-(9H-fluoren-9-yl)ethoxy]carbonylamino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[[(1R)-1-(9H-fluoren-9-yl)ethoxy]carbonylamino]methyl]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[[(1R)-1-(9H-fluoren-9-yl)ethoxy]carbonylamino]methyl]-4-methylpentanoic acid is CC(C)C[C@H](CNC(=O)O[C@H](C)C1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of (2R)-2-[[[(1R)-1-(9H-fluoren-9-yl)ethoxy]carbonylamino]methyl]-4-methylpentanoic acid?
The InChIKey is BLTRYQAPSNFBLB-HZPDHXFCSA-N. The full InChI is InChI=1S/C23H27NO4/c1-14(2)12-16(22(25)26)13-24-23(27)28-15(3)21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,14-16,21H,12-13H2,1-3H3,(H,24,27)(H,25,26)/t15-,16-/m1/s1.
What are the key properties of (2R)-2-[[[(1R)-1-(9H-fluoren-9-yl)ethoxy]carbonylamino]methyl]-4-methylpentanoic acid?
(2R)-2-[[[(1R)-1-(9H-fluoren-9-yl)ethoxy]carbonylamino]methyl]-4-methylpentanoic acid has a molecular weight of 381.47 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[[(1R)-1-(9H-fluoren-9-yl)ethoxy]carbonylamino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 71654615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).