2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic acid

C20H19NO4 — CID 4052587

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic acid
SMILESC=CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C20H19NO4/c1-2-7-18(19(22)23)21-20(24)25-12-17-15-10-5-3-8-13(15)14-9-4-6-11-16(14)17/h2-6,8-11,17-18H,1,7,12H2,(H,21,24)(H,22,23)
InChIKeyYVBLQCANYSFEBN-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.55
Rot. Bonds6

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic acid

2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic acid (PubChem CID 4052587) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic acid
PubChem CID4052587
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic acid
SMILESC=CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C20H19NO4/c1-2-7-18(19(22)23)21-20(24)25-12-17-15-10-5-3-8-13(15)14-9-4-6-11-16(14)17/h2-6,8-11,17-18H,1,7,12H2,(H,21,24)(H,22,23)
InChIKeyYVBLQCANYSFEBN-UHFFFAOYSA-N
XLogP3.55
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,7S)-2,7-bis(9H-fluoren-9-ylmethoxycarbonylamino)oct-4-enedioic acid
CID 57135941
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate
CID 10569941
benzyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate
CID 102217159
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-dimethylhex-5-enoic acid
CID 138987577
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid;hydrate
CID 70700086
(2S)-3-[(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 67718398
2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 5193992
(2S)-4-(15N)azanyl-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-4-oxobutanoic acid
CID 71308913
2-[cyclopropyl-[2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoyl]amino]acetic acid
CID 165459983
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydrazinylpropanoic acid
CID 175987234
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(3S)-4-oxo-4-prop-2-enoxy-3-(prop-2-enoxycarbonylamino)butyl]sulfanylpropanoic acid
CID 118981726
4-bromo-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic acid
CID 53397922

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic acid (CID 4052587) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic acid is C=CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic acid?
The InChIKey is YVBLQCANYSFEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-2-7-18(19(22)23)21-20(24)25-12-17-15-10-5-3-8-13(15)14-9-4-6-11-16(14)17/h2-6,8-11,17-18H,1,7,12H2,(H,21,24)(H,22,23).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic acid?
2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic acid has a molecular weight of 337.38 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic acid is sourced from PubChem (CID 4052587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).