methyl (2S)-3-(6-amino-2-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate

C24H23N3O4 — CID 11316039

IUPACmethyl (2S)-3-(6-amino-2-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
SMILESCOC(=O)[C@H](Cc1cccc(N)n1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H23N3O4/c1-30-23(28)21(13-15-7-6-12-22(25)26-15)27-24(29)31-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-12,20-21H,13-14H2,1H3,(H2,25,26)(H,27,29)/t21-/m0/s1
InChIKeyXFAXSNYIYWACEY-NRFANRHFSA-N
MW417.47 g/mol
LogP3.29
Rot. Bonds6

About methyl (2S)-3-(6-amino-2-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate

methyl (2S)-3-(6-amino-2-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate (PubChem CID 11316039) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is methyl (2S)-3-(6-amino-2-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-(6-amino-2-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
PubChem CID11316039
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Namemethyl (2S)-3-(6-amino-2-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
SMILESCOC(=O)[C@H](Cc1cccc(N)n1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H23N3O4/c1-30-23(28)21(13-15-7-6-12-22(25)26-15)27-24(29)31-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-12,20-21H,13-14H2,1H3,(H2,25,26)(H,27,29)/t21-/m0/s1
InChIKeyXFAXSNYIYWACEY-NRFANRHFSA-N
XLogP3.29
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-3-(6-amino-2-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate with MolForge

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Related Compounds

2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-2-(pyridin-3-yl)acetic acid
CID 24729665
Fmoc-beta-(2-quinolyl)-d-ala-oh
CID 56777165
(alphaS)-alpha-(((9H-Fluoren-9-ylmethoxy)carbonyl)amino)-2-pyridinepropanoic acid
CID 978320
3-(2-chloropyrimidin-4-yl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
CID 165522292
prop-2-enyl 3-(6-amino-3-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate;2,2,2-trifluoroacetic acid
CID 70244448
Fmoc-L-2-Pal(3-Me)-OH
CID 110284499
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-fluoro-2-pyridinyl)propanoic acid
CID 177908600
Methyl 2(S)-(N-fluoren-9-ylmethoxycarbonylamino)-3-(2-pyridyl)propionate
CID 11292566
CID 75412512
CID 75412512
4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-[(6-fluoropyridin-2-yl)carbamoyl]butanoic acid
CID 165511754
2-{[6-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pyridin-2-yl]formamido}-3,3,3-trifluoropropanoic acid
CID 165735711
3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[(6-fluoropyridin-2-yl)carbamoyl]propanoic acid
CID 165747995

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-(6-amino-2-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate?
The IUPAC name of methyl (2S)-3-(6-amino-2-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate (CID 11316039) is methyl (2S)-3-(6-amino-2-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate.
What is the SMILES notation for methyl (2S)-3-(6-amino-2-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate?
The canonical SMILES for methyl (2S)-3-(6-amino-2-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate is COC(=O)[C@H](Cc1cccc(N)n1)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of methyl (2S)-3-(6-amino-2-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate?
The InChIKey is XFAXSNYIYWACEY-NRFANRHFSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-30-23(28)21(13-15-7-6-12-22(25)26-15)27-24(29)31-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-12,20-21H,13-14H2,1H3,(H2,25,26)(H,27,29)/t21-/m0/s1.
What are the key properties of methyl (2S)-3-(6-amino-2-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate?
methyl (2S)-3-(6-amino-2-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate has a molecular weight of 417.47 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-(6-amino-2-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 11316039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).