(2S)-6-amino-2-[deuterio(9H-fluoren-9-ylmethoxycarbonyl)amino]hexanoic acid

C21H24N2O4 — CID 175950732

IUPAC(2S)-6-amino-2-[deuterio(9H-fluoren-9-ylmethoxycarbonyl)amino]hexanoic acid
SMILES[2H]N(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C21H24N2O4/c22-12-6-5-11-19(20(24)25)23-21(26)27-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13,22H2,(H,23,26)(H,24,25)/t19-/m0/s1/i/hD
InChIKeyYRKFMPDOFHQWPI-KMYBTZEASA-N
MW369.44 g/mol
LogP3.11
Rot. Bonds8

About (2S)-6-amino-2-[deuterio(9H-fluoren-9-ylmethoxycarbonyl)amino]hexanoic acid

(2S)-6-amino-2-[deuterio(9H-fluoren-9-ylmethoxycarbonyl)amino]hexanoic acid (PubChem CID 175950732) has the molecular formula C21H24N2O4 and a molecular weight of 369.44 g/mol. Its IUPAC name is (2S)-6-amino-2-[deuterio(9H-fluoren-9-ylmethoxycarbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-[deuterio(9H-fluoren-9-ylmethoxycarbonyl)amino]hexanoic acid
PubChem CID175950732
Molecular FormulaC21H24N2O4
Molecular Weight369.44 g/mol
Exact Mass369.18
IUPAC Name(2S)-6-amino-2-[deuterio(9H-fluoren-9-ylmethoxycarbonyl)amino]hexanoic acid
SMILES[2H]N(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C21H24N2O4/c22-12-6-5-11-19(20(24)25)23-21(26)27-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13,22H2,(H,23,26)(H,24,25)/t19-/m0/s1/i/hD
InChIKeyYRKFMPDOFHQWPI-KMYBTZEASA-N
XLogP3.11
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-6-amino-2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]hexanoic acid
CID 171853524
10-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)decanoic acid
CID 141018797
(2S)-12-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)dodecanoic acid
CID 97114140
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanedioic acid
CID 93478024
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(methylamino)hexanoic acid;hydrochloride
CID 175987361
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
CID 171397165
6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;4-methylbenzenesulfonic acid
CID 138114577
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)dodecanoic acid
CID 118098305
2-(9H-fluoren-9-ylmethoxycarbonylamino)-7-iodoheptanoic acid
CID 19604102
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid
CID 90132724
9H-fluoren-9-ylmethyl N-[(2R)-6-amino-1-oxohexan-2-yl]carbamate
CID 124582995

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-[deuterio(9H-fluoren-9-ylmethoxycarbonyl)amino]hexanoic acid?
The IUPAC name of (2S)-6-amino-2-[deuterio(9H-fluoren-9-ylmethoxycarbonyl)amino]hexanoic acid (CID 175950732) is (2S)-6-amino-2-[deuterio(9H-fluoren-9-ylmethoxycarbonyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-[deuterio(9H-fluoren-9-ylmethoxycarbonyl)amino]hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-[deuterio(9H-fluoren-9-ylmethoxycarbonyl)amino]hexanoic acid is [2H]N(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCN)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-[deuterio(9H-fluoren-9-ylmethoxycarbonyl)amino]hexanoic acid?
The InChIKey is YRKFMPDOFHQWPI-KMYBTZEASA-N. The full InChI is InChI=1S/C21H24N2O4/c22-12-6-5-11-19(20(24)25)23-21(26)27-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13,22H2,(H,23,26)(H,24,25)/t19-/m0/s1/i/hD.
What are the key properties of (2S)-6-amino-2-[deuterio(9H-fluoren-9-ylmethoxycarbonyl)amino]hexanoic acid?
(2S)-6-amino-2-[deuterio(9H-fluoren-9-ylmethoxycarbonyl)amino]hexanoic acid has a molecular weight of 369.44 g/mol, XLogP of 3.11, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-[deuterio(9H-fluoren-9-ylmethoxycarbonyl)amino]hexanoic acid is sourced from PubChem (CID 175950732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).