(2R)-3-[bis(2-hydroxyethyl)amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

C22H26N2O6 — CID 91872877

IUPAC(2R)-3-[bis(2-hydroxyethyl)amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
SMILESO=C(N[C@H](CN(CCO)CCO)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H26N2O6/c25-11-9-24(10-12-26)13-20(21(27)28)23-22(29)30-14-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19-20,25-26H,9-14H2,(H,23,29)(H,27,28)/t20-/m1/s1
InChIKeyGELUSMLDBJPCQD-HXUWFJFHSA-N
MW414.46 g/mol
LogP1.26
Rot. Bonds10

About (2R)-3-[bis(2-hydroxyethyl)amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

(2R)-3-[bis(2-hydroxyethyl)amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid (PubChem CID 91872877) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is (2R)-3-[bis(2-hydroxyethyl)amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-[bis(2-hydroxyethyl)amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
PubChem CID91872877
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC Name(2R)-3-[bis(2-hydroxyethyl)amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
SMILESO=C(N[C@H](CN(CCO)CCO)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H26N2O6/c25-11-9-24(10-12-26)13-20(21(27)28)23-22(29)30-14-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19-20,25-26H,9-14H2,(H,23,29)(H,27,28)/t20-/m1/s1
InChIKeyGELUSMLDBJPCQD-HXUWFJFHSA-N
XLogP1.26
TPSA119.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R)-3-[bis(2-hydroxyethyl)amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid;hydrate
CID 70700086
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
CID 171397165
(2S)-3-[bis[(1S)-1-hydroxyethyl]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 125462967
(2S)-3-[(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 67718398
2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 5193992
(2S)-4-(15N)azanyl-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-4-oxobutanoic acid
CID 71308913
(2S,7S)-2,7-bis(9H-fluoren-9-ylmethoxycarbonylamino)oct-4-enedioic acid
CID 57135941
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydrazinylpropanoic acid
CID 175987234
(2S)-3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 169035440
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(2,2,3,3,3-pentafluoropropyl)amino]propanoic acid
CID 171419418
2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic acid
CID 4052587
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trimethylsilylpropanoic acid
CID 165351061

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[bis(2-hydroxyethyl)amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
The IUPAC name of (2R)-3-[bis(2-hydroxyethyl)amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid (CID 91872877) is (2R)-3-[bis(2-hydroxyethyl)amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.
What is the SMILES notation for (2R)-3-[bis(2-hydroxyethyl)amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
The canonical SMILES for (2R)-3-[bis(2-hydroxyethyl)amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid is O=C(N[C@H](CN(CCO)CCO)C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2R)-3-[bis(2-hydroxyethyl)amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
The InChIKey is GELUSMLDBJPCQD-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N2O6/c25-11-9-24(10-12-26)13-20(21(27)28)23-22(29)30-14-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19-20,25-26H,9-14H2,(H,23,29)(H,27,28)/t20-/m1/s1.
What are the key properties of (2R)-3-[bis(2-hydroxyethyl)amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
(2R)-3-[bis(2-hydroxyethyl)amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid has a molecular weight of 414.46 g/mol, XLogP of 1.26, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[bis(2-hydroxyethyl)amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 91872877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).