tert-butyl 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-(2-methylpropyl)amino]acetate

C25H32N2O4 — CID 101025397

IUPACtert-butyl 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-(2-methylpropyl)amino]acetate
SMILESCC(C)CN(CC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H32N2O4/c1-17(2)14-27(15-23(28)31-25(3,4)5)26-24(29)30-16-22-20-12-8-6-10-18(20)19-11-7-9-13-21(19)22/h6-13,17,22H,14-16H2,1-5H3,(H,26,29)
InChIKeyOZUHAANKUSJTEW-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.74
Rot. Bonds7

About tert-butyl 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-(2-methylpropyl)amino]acetate

tert-butyl 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-(2-methylpropyl)amino]acetate (PubChem CID 101025397) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is tert-butyl 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-(2-methylpropyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-(2-methylpropyl)amino]acetate
PubChem CID101025397
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Nametert-butyl 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-(2-methylpropyl)amino]acetate
SMILESCC(C)CN(CC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H32N2O4/c1-17(2)14-27(15-23(28)31-25(3,4)5)26-24(29)30-16-22-20-12-8-6-10-18(20)19-11-7-9-13-21(19)22/h6-13,17,22H,14-16H2,1-5H3,(H,26,29)
InChIKeyOZUHAANKUSJTEW-UHFFFAOYSA-N
XLogP4.74
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[4-(1,3-dioxoisoindol-2-yl)butyl-(9H-fluoren-9-ylmethoxycarbonylamino)amino]acetate
CID 101025400
(2S)-3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 169035440
2-[2-hydroxyethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 176800379
tert-butyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-(2-phenylacetyl)amino]acetate
CID 15450756
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]amino]acetic acid
CID 118650117
(3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 59669590
tert-butyl (3R,4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-6-methylheptanoate
CID 75365719
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 7018816
(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
tert-butyl (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoate
CID 11773868
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate
CID 7009545
2-[(9H-fluoren-9-ylmethoxycarbonylamino)-pentylamino]acetic acid
CID 58152522

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-(2-methylpropyl)amino]acetate?
The IUPAC name of tert-butyl 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-(2-methylpropyl)amino]acetate (CID 101025397) is tert-butyl 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-(2-methylpropyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-(2-methylpropyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-(2-methylpropyl)amino]acetate is CC(C)CN(CC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of tert-butyl 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-(2-methylpropyl)amino]acetate?
The InChIKey is OZUHAANKUSJTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-17(2)14-27(15-23(28)31-25(3,4)5)26-24(29)30-16-22-20-12-8-6-10-18(20)19-11-7-9-13-21(19)22/h6-13,17,22H,14-16H2,1-5H3,(H,26,29).
What are the key properties of tert-butyl 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-(2-methylpropyl)amino]acetate?
tert-butyl 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-(2-methylpropyl)amino]acetate has a molecular weight of 424.54 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-(2-methylpropyl)amino]acetate is sourced from PubChem (CID 101025397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).