(2R)-5-(9H-fluoren-1-ylmethoxycarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid

C28H28N2O6 — CID 165175181

IUPAC(2R)-5-(9H-fluoren-1-ylmethoxycarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid
SMILESO=C(NCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O)OCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C28H28N2O6/c31-26(32)25(30-28(34)35-17-19-8-2-1-3-9-19)14-7-15-29-27(33)36-18-21-11-6-13-23-22-12-5-4-10-20(22)16-24(21)23/h1-6,8-13,25H,7,14-18H2,(H,29,33)(H,30,34)(H,31,32)/t25-/m1/s1
InChIKeyDTSVXENIGCLURM-RUZDIDTESA-N
MW488.54 g/mol
LogP4.64
Rot. Bonds10

About (2R)-5-(9H-fluoren-1-ylmethoxycarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid

(2R)-5-(9H-fluoren-1-ylmethoxycarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid (PubChem CID 165175181) has the molecular formula C28H28N2O6 and a molecular weight of 488.54 g/mol. Its IUPAC name is (2R)-5-(9H-fluoren-1-ylmethoxycarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-5-(9H-fluoren-1-ylmethoxycarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid
PubChem CID165175181
Molecular FormulaC28H28N2O6
Molecular Weight488.54 g/mol
Exact Mass488.19
IUPAC Name(2R)-5-(9H-fluoren-1-ylmethoxycarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid
SMILESO=C(NCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O)OCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C28H28N2O6/c31-26(32)25(30-28(34)35-17-19-8-2-1-3-9-19)14-7-15-29-27(33)36-18-21-11-6-13-23-22-12-5-4-10-20(22)16-24(21)23/h1-6,8-13,25H,7,14-18H2,(H,29,33)(H,30,34)(H,31,32)/t25-/m1/s1
InChIKeyDTSVXENIGCLURM-RUZDIDTESA-N
XLogP4.64
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-methylpentanoic acid
CID 14767788
3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid
CID 174897078
(2S)-6-[[(4S)-4-carboxy-4-(phenylmethoxycarbonylamino)butanoyl]amino]-2-(phenylmethoxycarbonylamino)hexanoic acid
CID 102295934
(2R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoic acid
CID 155412566
(2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 67585772
benzyl N-[(2S)-1-hydrazinyl-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamate
CID 92526851
(2S)-5-(benzylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 18346614
2-(benzhydrylcarbamoylamino)-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 57147486
2,6-diaminohexanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid
CID 174881683
benzyl N-[[[(2S)-2,6-bis(phenylmethoxycarbonylamino)hexanoyl]amino]methyl]carbamate
CID 10460790
5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 14075005
3-[[2-(9H-fluoren-1-ylmethoxy)-2-oxoacetyl]amino]propanoic acid
CID 23220870

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(9H-fluoren-1-ylmethoxycarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid?
The IUPAC name of (2R)-5-(9H-fluoren-1-ylmethoxycarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid (CID 165175181) is (2R)-5-(9H-fluoren-1-ylmethoxycarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for (2R)-5-(9H-fluoren-1-ylmethoxycarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid?
The canonical SMILES for (2R)-5-(9H-fluoren-1-ylmethoxycarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid is O=C(NCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O)OCc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of (2R)-5-(9H-fluoren-1-ylmethoxycarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid?
The InChIKey is DTSVXENIGCLURM-RUZDIDTESA-N. The full InChI is InChI=1S/C28H28N2O6/c31-26(32)25(30-28(34)35-17-19-8-2-1-3-9-19)14-7-15-29-27(33)36-18-21-11-6-13-23-22-12-5-4-10-20(22)16-24(21)23/h1-6,8-13,25H,7,14-18H2,(H,29,33)(H,30,34)(H,31,32)/t25-/m1/s1.
What are the key properties of (2R)-5-(9H-fluoren-1-ylmethoxycarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid?
(2R)-5-(9H-fluoren-1-ylmethoxycarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid has a molecular weight of 488.54 g/mol, XLogP of 4.64, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(9H-fluoren-1-ylmethoxycarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 165175181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).