(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-prop-2-enylpentanedioic acid

C23H23NO6 — CID 139986097

IUPAC(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-prop-2-enylpentanedioic acid
SMILESC=CC[C@@](CCC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C23H23NO6/c1-2-12-23(21(27)28,13-11-20(25)26)24-22(29)30-14-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h2-10,19H,1,11-14H2,(H,24,29)(H,25,26)(H,27,28)/t23-/m0/s1
InChIKeyLKRCYSBXUMEKNC-QHCPKHFHSA-N
MW409.44 g/mol
LogP3.79
Rot. Bonds9

About (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-prop-2-enylpentanedioic acid

(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-prop-2-enylpentanedioic acid (PubChem CID 139986097) has the molecular formula C23H23NO6 and a molecular weight of 409.44 g/mol. Its IUPAC name is (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-prop-2-enylpentanedioic acid.

Molecular Properties

Compound Name(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-prop-2-enylpentanedioic acid
PubChem CID139986097
Molecular FormulaC23H23NO6
Molecular Weight409.44 g/mol
Exact Mass409.15
IUPAC Name(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-prop-2-enylpentanedioic acid
SMILESC=CC[C@@](CCC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C23H23NO6/c1-2-12-23(21(27)28,13-11-20(25)26)24-22(29)30-14-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h2-10,19H,1,11-14H2,(H,24,29)(H,25,26)(H,27,28)/t23-/m0/s1
InChIKeyLKRCYSBXUMEKNC-QHCPKHFHSA-N
XLogP3.79
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hex-5-enoic acid
CID 86280418
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhept-6-enoic acid
CID 53395080
2-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 103663910
ethyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pent-4-enylhept-6-enoate
CID 68667175
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-3-prop-2-enoxypropanoic acid
CID 58027950
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylnon-8-enoic acid
CID 118797122
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanedioic acid
CID 56924002
2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic acid
CID 4052587
2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 63310465
(2R)-2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 131697971
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-3-methylsulfonylpropanoic acid
CID 91128209
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;hydrochloride
CID 18356260

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-prop-2-enylpentanedioic acid?
The IUPAC name of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-prop-2-enylpentanedioic acid (CID 139986097) is (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-prop-2-enylpentanedioic acid.
What is the SMILES notation for (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-prop-2-enylpentanedioic acid?
The canonical SMILES for (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-prop-2-enylpentanedioic acid is C=CC[C@@](CCC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-prop-2-enylpentanedioic acid?
The InChIKey is LKRCYSBXUMEKNC-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H23NO6/c1-2-12-23(21(27)28,13-11-20(25)26)24-22(29)30-14-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h2-10,19H,1,11-14H2,(H,24,29)(H,25,26)(H,27,28)/t23-/m0/s1.
What are the key properties of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-prop-2-enylpentanedioic acid?
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-prop-2-enylpentanedioic acid has a molecular weight of 409.44 g/mol, XLogP of 3.79, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-prop-2-enylpentanedioic acid is sourced from PubChem (CID 139986097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).