(2R)-2,6-diamino-2-chloro-3-(9H-fluoren-9-ylmethoxycarbonyl)hexanoic acid

C21H23ClN2O4 — CID 166520056

IUPAC(2R)-2,6-diamino-2-chloro-3-(9H-fluoren-9-ylmethoxycarbonyl)hexanoic acid
SMILESNCCCC(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@](N)(Cl)C(=O)O
InChIInChI=1S/C21H23ClN2O4/c22-21(24,20(26)27)18(10-5-11-23)19(25)28-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12,23-24H2,(H,26,27)/t18?,21-/m0/s1
InChIKeyNBWHSGJQIZGDNL-ZYZRXSCRSA-N
MW402.88 g/mol
LogP2.68
Rot. Bonds8

About (2R)-2,6-diamino-2-chloro-3-(9H-fluoren-9-ylmethoxycarbonyl)hexanoic acid

(2R)-2,6-diamino-2-chloro-3-(9H-fluoren-9-ylmethoxycarbonyl)hexanoic acid (PubChem CID 166520056) has the molecular formula C21H23ClN2O4 and a molecular weight of 402.88 g/mol. Its IUPAC name is (2R)-2,6-diamino-2-chloro-3-(9H-fluoren-9-ylmethoxycarbonyl)hexanoic acid.

Molecular Properties

Compound Name(2R)-2,6-diamino-2-chloro-3-(9H-fluoren-9-ylmethoxycarbonyl)hexanoic acid
PubChem CID166520056
Molecular FormulaC21H23ClN2O4
Molecular Weight402.88 g/mol
Exact Mass402.13
IUPAC Name(2R)-2,6-diamino-2-chloro-3-(9H-fluoren-9-ylmethoxycarbonyl)hexanoic acid
SMILESNCCCC(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@](N)(Cl)C(=O)O
InChIInChI=1S/C21H23ClN2O4/c22-21(24,20(26)27)18(10-5-11-23)19(25)28-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12,23-24H2,(H,26,27)/t18?,21-/m0/s1
InChIKeyNBWHSGJQIZGDNL-ZYZRXSCRSA-N
XLogP2.68
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

10-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)decanoic acid
CID 141018797
(2S)-12-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)dodecanoic acid
CID 97114140
2,2-diamino-4-(9H-fluoren-9-ylmethoxy)-3-methyl-4-oxobutanoic acid
CID 69036626
benzyl (2R)-5-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
CID 70899480
9H-fluoren-9-ylmethyl 2-[diamino(carboxyperoxy)methyl]pentanoate
CID 87235219
2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
CID 74001834
(2R,3R)-2-[2-(4-chlorophenyl)ethyl]-4-(9H-fluoren-9-ylmethoxy)-3-methyl-4-oxobutanoic acid
CID 146517437
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl 5-amino-3-hydroxypentanoate
CID 57365284
(2S)-2-(aminomethyl)-3-(9H-fluoren-9-ylmethoxy)-2-hydroxy-3-oxopropanoic acid
CID 178186306
(6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
CID 96559700
2-(9H-fluoren-9-ylmethoxycarbonyl)heptanoic acid
CID 163288654

Frequently Asked Questions

What is the IUPAC name of (2R)-2,6-diamino-2-chloro-3-(9H-fluoren-9-ylmethoxycarbonyl)hexanoic acid?
The IUPAC name of (2R)-2,6-diamino-2-chloro-3-(9H-fluoren-9-ylmethoxycarbonyl)hexanoic acid (CID 166520056) is (2R)-2,6-diamino-2-chloro-3-(9H-fluoren-9-ylmethoxycarbonyl)hexanoic acid.
What is the SMILES notation for (2R)-2,6-diamino-2-chloro-3-(9H-fluoren-9-ylmethoxycarbonyl)hexanoic acid?
The canonical SMILES for (2R)-2,6-diamino-2-chloro-3-(9H-fluoren-9-ylmethoxycarbonyl)hexanoic acid is NCCCC(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@](N)(Cl)C(=O)O.
What is the InChIKey of (2R)-2,6-diamino-2-chloro-3-(9H-fluoren-9-ylmethoxycarbonyl)hexanoic acid?
The InChIKey is NBWHSGJQIZGDNL-ZYZRXSCRSA-N. The full InChI is InChI=1S/C21H23ClN2O4/c22-21(24,20(26)27)18(10-5-11-23)19(25)28-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12,23-24H2,(H,26,27)/t18?,21-/m0/s1.
What are the key properties of (2R)-2,6-diamino-2-chloro-3-(9H-fluoren-9-ylmethoxycarbonyl)hexanoic acid?
(2R)-2,6-diamino-2-chloro-3-(9H-fluoren-9-ylmethoxycarbonyl)hexanoic acid has a molecular weight of 402.88 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,6-diamino-2-chloro-3-(9H-fluoren-9-ylmethoxycarbonyl)hexanoic acid is sourced from PubChem (CID 166520056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).