2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride

C18H18ClNO4 — CID 77247911

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
SMILESCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.Cl
InChIInChI=1S/C18H17NO4.ClH/c1-11(17(20)21)19-18(22)23-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16;/h2-9,11,16H,10H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyALHOJQGWCQJGTK-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.42
Rot. Bonds4

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride

2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride (PubChem CID 77247911) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
PubChem CID77247911
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
SMILESCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.Cl
InChIInChI=1S/C18H17NO4.ClH/c1-11(17(20)21)19-18(22)23-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16;/h2-9,11,16H,10H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyALHOJQGWCQJGTK-UHFFFAOYSA-N
XLogP3.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931
(2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]propanoic acid
CID 22943221
2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
CID 138112851
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 71343106
(2R)-2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 165482688
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
(2S)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]propanoic acid
CID 122173539
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid
CID 6992534
(2S,3S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-methylpentanoic acid
CID 11729562
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
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid;hydrate
CID 70700086

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride (CID 77247911) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride is CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.Cl.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride?
The InChIKey is ALHOJQGWCQJGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4.ClH/c1-11(17(20)21)19-18(22)23-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16;/h2-9,11,16H,10H2,1H3,(H,19,22)(H,20,21);1H.
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride?
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride has a molecular weight of 347.80 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride is sourced from PubChem (CID 77247911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).