2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(2H-tetrazol-5-yl)pentanoic acid

C21H21N5O4 — CID 165343891

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(2H-tetrazol-5-yl)pentanoic acid
SMILESO=C(NC(CCCc1nn[nH]n1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H21N5O4/c27-20(28)18(10-5-11-19-23-25-26-24-19)22-21(29)30-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,22,29)(H,27,28)(H,23,24,25,26)
InChIKeyVZNVEWWGWUZLEC-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.51
Rot. Bonds8

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(2H-tetrazol-5-yl)pentanoic acid

2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(2H-tetrazol-5-yl)pentanoic acid (PubChem CID 165343891) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(2H-tetrazol-5-yl)pentanoic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(2H-tetrazol-5-yl)pentanoic acid
PubChem CID165343891
Molecular FormulaC21H21N5O4
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(2H-tetrazol-5-yl)pentanoic acid
SMILESO=C(NC(CCCc1nn[nH]n1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H21N5O4/c27-20(28)18(10-5-11-19-23-25-26-24-19)22-21(29)30-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,22,29)(H,27,28)(H,23,24,25,26)
InChIKeyVZNVEWWGWUZLEC-UHFFFAOYSA-N
XLogP2.51
TPSA130.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(2H-tetrazol-5-yl)butanoyl]amino]acetate
CID 102381690
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
CID 171397165
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(4-fluorophenyl)pentanoic acid
CID 154726183
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
(2S)-5-(carbamoylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 2756127
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanedioic acid
CID 93478024
(2R)-6-(diaminomethylideneamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;hydrochloride
CID 122173526
2-(9H-fluoren-9-ylmethoxycarbonylamino)-7-iodoheptanoic acid
CID 19604102
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)dodecanoic acid
CID 118098305
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methoxypentanoic acid
CID 124508880
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxoheptanoic acid
CID 103819744
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(4-fluorophenyl)hexanoic acid
CID 171702896

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(2H-tetrazol-5-yl)pentanoic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(2H-tetrazol-5-yl)pentanoic acid (CID 165343891) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(2H-tetrazol-5-yl)pentanoic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(2H-tetrazol-5-yl)pentanoic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(2H-tetrazol-5-yl)pentanoic acid is O=C(NC(CCCc1nn[nH]n1)C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(2H-tetrazol-5-yl)pentanoic acid?
The InChIKey is VZNVEWWGWUZLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4/c27-20(28)18(10-5-11-19-23-25-26-24-19)22-21(29)30-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,22,29)(H,27,28)(H,23,24,25,26).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(2H-tetrazol-5-yl)pentanoic acid?
2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(2H-tetrazol-5-yl)pentanoic acid has a molecular weight of 407.43 g/mol, XLogP of 2.51, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(2H-tetrazol-5-yl)pentanoic acid is sourced from PubChem (CID 165343891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).