methyl (2S)-2-(2,9-dihydro-1H-fluoren-9-ylmethoxycarbonylamino)propanoate

C19H21NO4 — CID 163499760

IUPACmethyl (2S)-2-(2,9-dihydro-1H-fluoren-9-ylmethoxycarbonylamino)propanoate
SMILESCOC(=O)[C@H](C)NC(=O)OCC1C2=C(C=CCC2)c2ccccc21
InChIInChI=1S/C19H21NO4/c1-12(18(21)23-2)20-19(22)24-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-5,7-9,12,17H,6,10-11H2,1-2H3,(H,20,22)/t12-,17?/m0/s1
InChIKeyCTSCVQBHARURBG-WHUIICBVSA-N
MW327.38 g/mol
LogP3.18
Rot. Bonds4

About methyl (2S)-2-(2,9-dihydro-1H-fluoren-9-ylmethoxycarbonylamino)propanoate

methyl (2S)-2-(2,9-dihydro-1H-fluoren-9-ylmethoxycarbonylamino)propanoate (PubChem CID 163499760) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl (2S)-2-(2,9-dihydro-1H-fluoren-9-ylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(2,9-dihydro-1H-fluoren-9-ylmethoxycarbonylamino)propanoate
PubChem CID163499760
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namemethyl (2S)-2-(2,9-dihydro-1H-fluoren-9-ylmethoxycarbonylamino)propanoate
SMILESCOC(=O)[C@H](C)NC(=O)OCC1C2=C(C=CCC2)c2ccccc21
InChIInChI=1S/C19H21NO4/c1-12(18(21)23-2)20-19(22)24-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-5,7-9,12,17H,6,10-11H2,1-2H3,(H,20,22)/t12-,17?/m0/s1
InChIKeyCTSCVQBHARURBG-WHUIICBVSA-N
XLogP3.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931
2,9-dihydro-1H-fluoren-9-ylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 143777459
dimethyl (2R,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanedioate
CID 23651066
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
methyl (2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-sulfanylpropanoate
CID 12967892
9H-fluoren-9-ylmethyl N-[1-oxo-1-[[1-oxo-1-(3-oxobutan-2-ylamino)propan-2-yl]amino]propan-2-yl]carbamate
CID 58937812
methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoate
CID 23541145
methyl 2-(chloroamino)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
CID 91501008
9H-fluoren-9-ylmethyl N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate
CID 15549270
CID 101120722
CID 101120722
methyl (3R)-2-chloro-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
CID 59323923

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(2,9-dihydro-1H-fluoren-9-ylmethoxycarbonylamino)propanoate?
The IUPAC name of methyl (2S)-2-(2,9-dihydro-1H-fluoren-9-ylmethoxycarbonylamino)propanoate (CID 163499760) is methyl (2S)-2-(2,9-dihydro-1H-fluoren-9-ylmethoxycarbonylamino)propanoate.
What is the SMILES notation for methyl (2S)-2-(2,9-dihydro-1H-fluoren-9-ylmethoxycarbonylamino)propanoate?
The canonical SMILES for methyl (2S)-2-(2,9-dihydro-1H-fluoren-9-ylmethoxycarbonylamino)propanoate is COC(=O)[C@H](C)NC(=O)OCC1C2=C(C=CCC2)c2ccccc21.
What is the InChIKey of methyl (2S)-2-(2,9-dihydro-1H-fluoren-9-ylmethoxycarbonylamino)propanoate?
The InChIKey is CTSCVQBHARURBG-WHUIICBVSA-N. The full InChI is InChI=1S/C19H21NO4/c1-12(18(21)23-2)20-19(22)24-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-5,7-9,12,17H,6,10-11H2,1-2H3,(H,20,22)/t12-,17?/m0/s1.
What are the key properties of methyl (2S)-2-(2,9-dihydro-1H-fluoren-9-ylmethoxycarbonylamino)propanoate?
methyl (2S)-2-(2,9-dihydro-1H-fluoren-9-ylmethoxycarbonylamino)propanoate has a molecular weight of 327.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(2,9-dihydro-1H-fluoren-9-ylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 163499760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).