2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;propane

C22H28N2O4 — CID 143718788

IUPAC2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;propane
SMILESCCC.O=C(O)CNCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H20N2O4.C3H8/c22-18(23)11-20-9-10-21-19(24)25-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17;1-3-2/h1-8,17,20H,9-12H2,(H,21,24)(H,22,23);3H2,1-2H3
InChIKeyZXCQKINXXIXDDW-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.62
Rot. Bonds7

About 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;propane

2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;propane (PubChem CID 143718788) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;propane.

Molecular Properties

Compound Name2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;propane
PubChem CID143718788
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;propane
SMILESCCC.O=C(O)CNCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H20N2O4.C3H8/c22-18(23)11-20-9-10-21-19(24)25-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17;1-3-2/h1-8,17,20H,9-12H2,(H,21,24)(H,22,23);3H2,1-2H3
InChIKeyZXCQKINXXIXDDW-UHFFFAOYSA-N
XLogP3.62
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;hydrochloride
CID 18356260
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butylamino]acetic acid;hydrochloride
CID 134830437
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid
CID 162720748
prop-2-enyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetate
CID 23551074
3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]propanoic acid;4-oxohexanoic acid
CID 158307652
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxycarbonylamino]ethoxy]ethoxycarbonylamino]ethoxy]ethoxycarbonylamino]ethoxy]ethoxycarbonylamino]ethoxy]ethoxycarbonylamino]ethoxy]ethoxycarbonylamino]acetic acid
CID 58108393
3-(butanoylamino)propanoic acid;2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetic acid
CID 161068795
3-(9H-fluoren-9-ylmethoxycarbonylcarbamoylamino)propanoic acid
CID 58223908
9H-fluoren-9-ylmethyl N-(2-propoxyethyl)carbamate
CID 23569178
4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid
CID 118448290
4-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexoxy]-4-oxobutanoic acid
CID 70264065

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;propane?
The IUPAC name of 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;propane (CID 143718788) is 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;propane.
What is the SMILES notation for 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;propane?
The canonical SMILES for 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;propane is CCC.O=C(O)CNCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;propane?
The InChIKey is ZXCQKINXXIXDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4.C3H8/c22-18(23)11-20-9-10-21-19(24)25-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17;1-3-2/h1-8,17,20H,9-12H2,(H,21,24)(H,22,23);3H2,1-2H3.
What are the key properties of 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;propane?
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;propane has a molecular weight of 384.48 g/mol, XLogP of 3.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;propane is sourced from PubChem (CID 143718788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).