(2S)-2-[ethyl(9H-fluoren-1-yl)amino]-3-hydroxypropanoic acid

C18H19NO3 — CID 151202956

IUPAC(2S)-2-[ethyl(9H-fluoren-1-yl)amino]-3-hydroxypropanoic acid
SMILESCCN(c1cccc2c1Cc1ccccc1-2)[C@@H](CO)C(=O)O
InChIInChI=1S/C18H19NO3/c1-2-19(17(11-20)18(21)22)16-9-5-8-14-13-7-4-3-6-12(13)10-15(14)16/h3-9,17,20H,2,10-11H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyNIRLOTNOSYOBHV-KRWDZBQOSA-N
MW297.35 g/mol
LogP2.53
Rot. Bonds5

About (2S)-2-[ethyl(9H-fluoren-1-yl)amino]-3-hydroxypropanoic acid

(2S)-2-[ethyl(9H-fluoren-1-yl)amino]-3-hydroxypropanoic acid (PubChem CID 151202956) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (2S)-2-[ethyl(9H-fluoren-1-yl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[ethyl(9H-fluoren-1-yl)amino]-3-hydroxypropanoic acid
PubChem CID151202956
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(2S)-2-[ethyl(9H-fluoren-1-yl)amino]-3-hydroxypropanoic acid
SMILESCCN(c1cccc2c1Cc1ccccc1-2)[C@@H](CO)C(=O)O
InChIInChI=1S/C18H19NO3/c1-2-19(17(11-20)18(21)22)16-9-5-8-14-13-7-4-3-6-12(13)10-15(14)16/h3-9,17,20H,2,10-11H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyNIRLOTNOSYOBHV-KRWDZBQOSA-N
XLogP2.53
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9H-fluoren-1-yl)-N-propylprop-2-enamide
CID 150861275
acetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene
CID 162313144
9H-fluorene;propanoic acid
CID 67831567
N,N-didecyl-9H-fluoren-1-amine
CID 151349271
1-ethyl-9H-fluorene;prop-2-enoic acid
CID 175512160
N-(9H-fluoren-1-yl)-N-tetradecyl-9H-fluoren-1-amine
CID 150228680
1-N,1-N,1-N',1-N'-tetraethyl-2-(9H-fluoren-1-yl)ethane-1,1-diamine;hydrochloride
CID 141106143
1,2-diphenyl-9H-fluorene;propanoic acid
CID 174827621
acetic acid;azane;9H-fluorene
CID 174966259
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
9H-fluoren-1-yl acetate;propane-1,2-diol
CID 159192832
ethane;9H-fluorene;propanoic acid
CID 90836645

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[ethyl(9H-fluoren-1-yl)amino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[ethyl(9H-fluoren-1-yl)amino]-3-hydroxypropanoic acid (CID 151202956) is (2S)-2-[ethyl(9H-fluoren-1-yl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[ethyl(9H-fluoren-1-yl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[ethyl(9H-fluoren-1-yl)amino]-3-hydroxypropanoic acid is CCN(c1cccc2c1Cc1ccccc1-2)[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-2-[ethyl(9H-fluoren-1-yl)amino]-3-hydroxypropanoic acid?
The InChIKey is NIRLOTNOSYOBHV-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19NO3/c1-2-19(17(11-20)18(21)22)16-9-5-8-14-13-7-4-3-6-12(13)10-15(14)16/h3-9,17,20H,2,10-11H2,1H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-2-[ethyl(9H-fluoren-1-yl)amino]-3-hydroxypropanoic acid?
(2S)-2-[ethyl(9H-fluoren-1-yl)amino]-3-hydroxypropanoic acid has a molecular weight of 297.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[ethyl(9H-fluoren-1-yl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 151202956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).