(2R)-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]pentanoic acid

C28H34N2O5 — CID 165459168

IUPAC(2R)-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)C1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1)C(=O)O
InChIInChI=1S/C28H34N2O5/c1-2-10-24(25(31)32)30-26(33)28(15-8-3-9-16-28)18-29-27(34)35-17-23-21-13-6-4-11-19(21)20-12-5-7-14-22(20)23/h4-7,11-14,23-24H,2-3,8-10,15-18H2,1H3,(H,29,34)(H,30,33)(H,31,32)/t24-/m1/s1
InChIKeyTXNMDEFDMORAQG-XMMPIXPASA-N
MW478.59 g/mol
LogP4.85
Rot. Bonds9

About (2R)-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]pentanoic acid

(2R)-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]pentanoic acid (PubChem CID 165459168) has the molecular formula C28H34N2O5 and a molecular weight of 478.59 g/mol. Its IUPAC name is (2R)-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]pentanoic acid
PubChem CID165459168
Molecular FormulaC28H34N2O5
Molecular Weight478.59 g/mol
Exact Mass478.25
IUPAC Name(2R)-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)C1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1)C(=O)O
InChIInChI=1S/C28H34N2O5/c1-2-10-24(25(31)32)30-26(33)28(15-8-3-9-16-28)18-29-27(34)35-17-23-21-13-6-4-11-19(21)20-12-5-7-14-22(20)23/h4-7,11-14,23-24H,2-3,8-10,15-18H2,1H3,(H,29,34)(H,30,33)(H,31,32)/t24-/m1/s1
InChIKeyTXNMDEFDMORAQG-XMMPIXPASA-N
XLogP4.85
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]pentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopropyl-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]acetic acid
CID 165481898
9H-fluoren-9-ylmethyl N-[(1-carbonochloridoylcyclohexyl)methyl]carbamate
CID 118380482
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-methylcyclohexyl)propanoic acid
CID 165485041
(2S)-2-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]amino]pentanoic acid
CID 178193761
1-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 165463816
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)dodecanoic acid
CID 118098305
2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 5193992
(2S)-5-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoic acid
CID 171702819
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;tetramethylazanium;chloride
CID 131676595
(2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]-4-methylsulfanylbutanoic acid
CID 165485681
(2S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(pentadecanoylamino)butanoic acid
CID 169217785

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]pentanoic acid (CID 165459168) is (2R)-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]pentanoic acid is CCC[C@@H](NC(=O)C1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1)C(=O)O.
What is the InChIKey of (2R)-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]pentanoic acid?
The InChIKey is TXNMDEFDMORAQG-XMMPIXPASA-N. The full InChI is InChI=1S/C28H34N2O5/c1-2-10-24(25(31)32)30-26(33)28(15-8-3-9-16-28)18-29-27(34)35-17-23-21-13-6-4-11-19(21)20-12-5-7-14-22(20)23/h4-7,11-14,23-24H,2-3,8-10,15-18H2,1H3,(H,29,34)(H,30,33)(H,31,32)/t24-/m1/s1.
What are the key properties of (2R)-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]pentanoic acid?
(2R)-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]pentanoic acid has a molecular weight of 478.59 g/mol, XLogP of 4.85, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]pentanoic acid is sourced from PubChem (CID 165459168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).