4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid

C21H22N2O5 — CID 118448290

IUPAC4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H22N2O5/c24-19(22-11-5-10-20(25)26)12-23-21(27)28-13-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,18H,5,10-13H2,(H,22,24)(H,23,27)(H,25,26)
InChIKeyZQVPYWSQAPGOKO-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.51
Rot. Bonds8

About 4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid

4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid (PubChem CID 118448290) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid
PubChem CID118448290
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H22N2O5/c24-19(22-11-5-10-20(25)26)12-23-21(27)28-13-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,18H,5,10-13H2,(H,22,24)(H,23,27)(H,25,26)
InChIKeyZQVPYWSQAPGOKO-UHFFFAOYSA-N
XLogP2.51
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid with MolForge

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Related Compounds

6-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]oxyacetyl]amino]hexanoic acid
CID 155427273
9H-fluoren-9-ylmethyl N-[2-(octadecylamino)-2-oxoethyl]carbamate
CID 102308355
9H-fluoren-9-ylmethyl N-[2-(4,4-dihydroxybutylamino)-2-oxoethyl]carbamate
CID 139455954
3-(butanoylamino)propanoic acid;2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetic acid
CID 161068795
6-[3-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]propanoylamino]hexanoic acid
CID 154704999
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butylamino]acetic acid;hydrochloride
CID 134830437
2-[2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]acetic acid
CID 102122046
4-[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(trifluoromethyl)pentanoyl]amino]butanoic acid
CID 165460750
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid
CID 162720748
4-(1-carboxyethylamino)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-4-oxobutanoic acid
CID 22078231
2-[[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]methoxy]acetic acid
CID 172594576
3-[[2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]propanoic acid
CID 175534304

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid?
The IUPAC name of 4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid (CID 118448290) is 4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid is O=C(O)CCCNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid?
The InChIKey is ZQVPYWSQAPGOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c24-19(22-11-5-10-20(25)26)12-23-21(27)28-13-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,18H,5,10-13H2,(H,22,24)(H,23,27)(H,25,26).
What are the key properties of 4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid?
4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid has a molecular weight of 382.42 g/mol, XLogP of 2.51, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid is sourced from PubChem (CID 118448290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).