2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

C21H21NO4 — CID 63310465

IUPAC2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
SMILESCC(NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)C1CC1
InChIInChI=1S/C21H21NO4/c1-21(19(23)24,13-10-11-13)22-20(25)26-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18H,10-12H2,1H3,(H,22,25)(H,23,24)
InChIKeySBWCIRABWAINIK-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.78
Rot. Bonds5

About 2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid (PubChem CID 63310465) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
PubChem CID63310465
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
SMILESCC(NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)C1CC1
InChIInChI=1S/C21H21NO4/c1-21(19(23)24,13-10-11-13)22-20(25)26-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18H,10-12H2,1H3,(H,22,25)(H,23,24)
InChIKeySBWCIRABWAINIK-UHFFFAOYSA-N
XLogP3.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 131697971
2-cyclopropyl-2-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]propanoic acid
CID 178191789
2-cyclopropyl-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoyl]amino]propanoic acid
CID 165447315
3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
CID 104866483
(2S)-3-cyclohexyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
CID 154724956
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanedioic acid
CID 56924002
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate
CID 6950285
(3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dimethylpentanoic acid
CID 155270949
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-3-methylsulfonylpropanoic acid
CID 91128209
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpent-4-ynoic acid
CID 51885237
2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-methylpyrazol-1-yl)propanoic acid
CID 165495530
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(4-methoxyphenyl)propanoic acid
CID 163335635

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid (CID 63310465) is 2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid is CC(NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
The InChIKey is SBWCIRABWAINIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-21(19(23)24,13-10-11-13)22-20(25)26-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18H,10-12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid has a molecular weight of 351.40 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 63310465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).