(1R,2E)-2-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropylidene]cyclopentane-1-carboxylic acid

C24H25NO5 — CID 71055944

IUPAC(1R,2E)-2-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropylidene]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H](/C=C1\CCC[C@H]1C(=O)O)CO)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H25NO5/c26-13-16(12-15-6-5-11-17(15)23(27)28)25-24(29)30-14-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-4,7-10,12,16-17,22,26H,5-6,11,13-14H2,(H,25,29)(H,27,28)/b15-12+/t16-,17-/m1/s1
InChIKeyUUSITZWVTZSBAJ-OMYPGEHRSA-N
MW407.47 g/mol
LogP3.70
Rot. Bonds6

About (1R,2E)-2-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropylidene]cyclopentane-1-carboxylic acid

(1R,2E)-2-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropylidene]cyclopentane-1-carboxylic acid (PubChem CID 71055944) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is (1R,2E)-2-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropylidene]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2E)-2-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropylidene]cyclopentane-1-carboxylic acid
PubChem CID71055944
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name(1R,2E)-2-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropylidene]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H](/C=C1\CCC[C@H]1C(=O)O)CO)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H25NO5/c26-13-16(12-15-6-5-11-17(15)23(27)28)25-24(29)30-14-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-4,7-10,12,16-17,22,26H,5-6,11,13-14H2,(H,25,29)(H,27,28)/b15-12+/t16-,17-/m1/s1
InChIKeyUUSITZWVTZSBAJ-OMYPGEHRSA-N
XLogP3.70
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.70
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

(1R,2Z)-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-fluoropropylidene]cyclopentane-1-carboxylic acid
CID 71681258
9H-fluoren-9-ylmethyl N-(1-cyclopentyl-2-hydroxyethyl)carbamate
CID 131162320
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid;hydrate
CID 70700086
(2R)-2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 7146280
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
9H-fluoren-9-ylmethyl N-[(3S)-1-iodopent-1-en-3-yl]carbamate
CID 123810740
(3S)-4-cyclopropyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
CID 171703009
9H-fluoren-9-ylmethyl N-[(2R)-1-oxopent-4-yn-2-yl]carbamate
CID 89011784
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
CID 171397165
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
CID 22629894

Frequently Asked Questions

What is the IUPAC name of (1R,2E)-2-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropylidene]cyclopentane-1-carboxylic acid?
The IUPAC name of (1R,2E)-2-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropylidene]cyclopentane-1-carboxylic acid (CID 71055944) is (1R,2E)-2-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropylidene]cyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R,2E)-2-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropylidene]cyclopentane-1-carboxylic acid?
The canonical SMILES for (1R,2E)-2-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropylidene]cyclopentane-1-carboxylic acid is O=C(N[C@H](/C=C1\CCC[C@H]1C(=O)O)CO)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (1R,2E)-2-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropylidene]cyclopentane-1-carboxylic acid?
The InChIKey is UUSITZWVTZSBAJ-OMYPGEHRSA-N. The full InChI is InChI=1S/C24H25NO5/c26-13-16(12-15-6-5-11-17(15)23(27)28)25-24(29)30-14-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-4,7-10,12,16-17,22,26H,5-6,11,13-14H2,(H,25,29)(H,27,28)/b15-12+/t16-,17-/m1/s1.
What are the key properties of (1R,2E)-2-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropylidene]cyclopentane-1-carboxylic acid?
(1R,2E)-2-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropylidene]cyclopentane-1-carboxylic acid has a molecular weight of 407.47 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2E)-2-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropylidene]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 71055944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).