(2R)-3-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate

C18H18N2O4 — CID 6921835

IUPAC(2R)-3-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
SMILES[NH3+]C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]
InChIInChI=1S/C18H18N2O4/c19-9-16(17(21)22)20-18(23)24-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10,19H2,(H,20,23)(H,21,22)/t16-/m1/s1
InChIKeyHDSLKWZYHRLRRL-MRXNPFEDSA-N
MW326.35 g/mol
LogP-0.11
Rot. Bonds5

About (2R)-3-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate

(2R)-3-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate (PubChem CID 6921835) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is (2R)-3-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Name(2R)-3-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
PubChem CID6921835
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name(2R)-3-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
SMILES[NH3+]C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]
InChIInChI=1S/C18H18N2O4/c19-9-16(17(21)22)20-18(23)24-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10,19H2,(H,20,23)(H,21,22)/t16-/m1/s1
InChIKeyHDSLKWZYHRLRRL-MRXNPFEDSA-N
XLogP-0.11
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpent-4-enoate
CID 7019924
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-2-ylpropanoate
CID 7017917
disodium;(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfonatosulfanylpropanoate
CID 91825812
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate
CID 7009545
(2S)-3-(3,4-dichlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 7020436
(2R)-3-(4-tert-butylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 7010380
(2R)-3-(2-cyanophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 7130592
sodium (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-sulfooxyphenyl)propanoate
CID 91884902
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid;hydrate
CID 70700086
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluoropropanoate
CID 134850345
(2S)-3-[(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 67718398
(2S)-4-(15N)azanyl-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-4-oxobutanoic acid
CID 71308913

Frequently Asked Questions

What is the IUPAC name of (2R)-3-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate?
The IUPAC name of (2R)-3-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate (CID 6921835) is (2R)-3-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate.
What is the SMILES notation for (2R)-3-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate?
The canonical SMILES for (2R)-3-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate is [NH3+]C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-].
What is the InChIKey of (2R)-3-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate?
The InChIKey is HDSLKWZYHRLRRL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18N2O4/c19-9-16(17(21)22)20-18(23)24-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10,19H2,(H,20,23)(H,21,22)/t16-/m1/s1.
What are the key properties of (2R)-3-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate?
(2R)-3-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate has a molecular weight of 326.35 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 6921835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).